./Stage_1/0.005_-e3 OSZICAR.out output for 746: MT amorphous(poly(oxydiphenylene_pyromellitide)) from job 738 (test-4)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.394422421112E+04 0.39442E+04 -0.29018E+05 896 0.111E+03
DAV: 2 -0.105953365828E+04 -0.50038E+04 -0.48134E+04 1160 0.298E+02
DAV: 3 -0.152809168031E+04 -0.46856E+03 -0.46374E+03 1032 0.968E+01
DAV: 4 -0.153981300006E+04 -0.11721E+02 -0.11673E+02 1104 0.165E+01
DAV: 5 -0.154019400611E+04 -0.38101E+00 -0.38043E+00 1088 0.275E+00 0.630E+01
DAV: 6 -0.144847136100E+04 0.91723E+02 -0.17432E+02 1000 0.197E+01 0.343E+01
DAV: 7 -0.143020575304E+04 0.18266E+02 -0.49273E+01 1064 0.115E+01 0.160E+01
DAV: 8 -0.142843107518E+04 0.17747E+01 -0.10505E+01 1048 0.495E+00 0.586E+00
DAV: 9 -0.142837931447E+04 0.51761E-01 -0.12663E+00 1040 0.235E+00 0.194E+00
DAV: 10 -0.142837804031E+04 0.12742E-02 -0.33626E-01 992 0.113E+00 0.628E-01
DAV: 11 -0.142838490900E+04 -0.68687E-02 -0.61652E-02 1016 0.460E-01 0.349E-01
DAV: 12 -0.142838636539E+04 -0.14564E-02 -0.93177E-03 1016 0.230E-01 0.209E-01
DAV: 13 -0.142838519704E+04 0.11683E-02 -0.41680E-03 1000 0.185E-01 0.115E-01
DAV: 14 -0.142838356708E+04 0.16300E-02 -0.25100E-03 1048 0.138E-01 0.635E-02
DAV: 15 -0.142838302473E+04 0.54235E-03 -0.12442E-03 1048 0.833E-02 0.393E-02
DAV: 16 -0.142838285471E+04 0.17003E-03 -0.23071E-04 1112 0.409E-02 0.241E-02
DAV: 17 -0.142838278644E+04 0.68262E-04 -0.36967E-05 1008 0.264E-02 0.125E-02
DAV: 18 -0.142838274727E+04 0.39177E-04 -0.14612E-05 904 0.263E-02 0.753E-03
DAV: 19 -0.142838273115E+04 0.16114E-04 -0.47106E-05 1048 0.222E-02 0.622E-03
DAV: 20 -0.142838272477E+04 0.63783E-05 -0.23702E-05 840 0.132E-02
1 F= -.14283827E+04 E0= -.14283991E+04 d E =-.142838E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142819743069E+04 0.18530E+00 -0.22037E+01 920 0.782E+00 0.134E+00
DAV: 2 -0.142825511435E+04 -0.57684E-01 -0.82253E-01 1088 0.130E+00 0.830E-01
DAV: 3 -0.142824507639E+04 0.10038E-01 -0.24531E-02 1048 0.306E-01 0.515E-01
DAV: 4 -0.142824236134E+04 0.27151E-02 -0.14860E-02 1032 0.233E-01 0.190E-01
DAV: 5 -0.142824237264E+04 -0.11302E-04 -0.32491E-03 1040 0.110E-01 0.940E-02
DAV: 6 -0.142824234490E+04 0.27735E-04 -0.58581E-04 1040 0.448E-02 0.420E-02
DAV: 7 -0.142824231447E+04 0.30430E-04 -0.11630E-04 1024 0.214E-02 0.221E-02
DAV: 8 -0.142824230402E+04 0.10455E-04 -0.25060E-05 800 0.116E-02 0.769E-03
DAV: 9 -0.142824229965E+04 0.43673E-05 -0.62390E-06 632 0.681E-03
2 F= -.14282423E+04 E0= -.14282585E+04 d E =0.140425E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142837122762E+04 -0.12892E+00 -0.13150E+01 920 0.604E+00 0.104E+00
DAV: 2 -0.142840392427E+04 -0.32697E-01 -0.46571E-01 1080 0.982E-01 0.627E-01
DAV: 3 -0.142839801372E+04 0.59105E-02 -0.14601E-02 1048 0.236E-01 0.370E-01
DAV: 4 -0.142839662744E+04 0.13863E-02 -0.82926E-03 1024 0.174E-01 0.130E-01
DAV: 5 -0.142839666104E+04 -0.33603E-04 -0.17061E-03 1032 0.782E-02 0.666E-02
DAV: 6 -0.142839665145E+04 0.95863E-05 -0.28259E-04 1040 0.312E-02 0.307E-02
DAV: 7 -0.142839663689E+04 0.14561E-04 -0.58915E-05 1000 0.150E-02 0.156E-02
DAV: 8 -0.142839663385E+04 0.30384E-05 -0.12932E-05 640 0.806E-03
3 F= -.14283966E+04 E0= -.14284127E+04 d E =-.139091E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840178462E+04 -0.51477E-02 -0.47380E+00 912 0.373E+00 0.604E-01
DAV: 2 -0.142841160525E+04 -0.98206E-02 -0.13737E-01 1024 0.562E-01 0.409E-01
DAV: 3 -0.142840987483E+04 0.17304E-02 -0.50861E-03 1040 0.153E-01 0.258E-01
DAV: 4 -0.142840960019E+04 0.27463E-03 -0.40700E-03 1008 0.114E-01 0.956E-02
DAV: 5 -0.142840960722E+04 -0.70322E-05 -0.55435E-04 1064 0.471E-02 0.459E-02
DAV: 6 -0.142840960256E+04 0.46616E-05 -0.14748E-04 1016 0.216E-02 0.236E-02
DAV: 7 -0.142840959661E+04 0.59488E-05 -0.23729E-05 744 0.105E-02
4 F= -.14284096E+04 E0= -.14284257E+04 d E =-.129628E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841117500E+04 -0.15724E-02 -0.36260E-01 912 0.103E+00 0.165E-01
DAV: 2 -0.142841193979E+04 -0.76479E-03 -0.10367E-02 1032 0.155E-01 0.113E-01
DAV: 3 -0.142841181235E+04 0.12744E-03 -0.37352E-04 1032 0.415E-02 0.715E-02
DAV: 4 -0.142841179387E+04 0.18477E-04 -0.31067E-04 1016 0.315E-02 0.257E-02
DAV: 5 -0.142841179533E+04 -0.14606E-05 -0.40741E-05 872 0.129E-02
5 F= -.14284118E+04 E0= -.14284279E+04 d E =-.151615E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840524959E+04 0.65443E-02 -0.34795E+00 896 0.314E+00 0.498E-01
DAV: 2 -0.142841191812E+04 -0.66685E-02 -0.99724E-02 1064 0.459E-01 0.293E-01
DAV: 3 -0.142841083605E+04 0.10821E-02 -0.32199E-03 1056 0.114E-01 0.176E-01
DAV: 4 -0.142841068694E+04 0.14912E-03 -0.21333E-03 1032 0.814E-02 0.665E-02
DAV: 5 -0.142841069044E+04 -0.35061E-05 -0.32250E-04 1024 0.348E-02 0.312E-02
DAV: 6 -0.142841068652E+04 0.39233E-05 -0.60369E-05 1000 0.143E-02
6 F= -.14284107E+04 E0= -.14284265E+04 d E =0.110881E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841621095E+04 -0.55205E-02 -0.94835E-01 912 0.164E+00 0.257E-01
DAV: 2 -0.142841802648E+04 -0.18155E-02 -0.26430E-02 1064 0.237E-01 0.151E-01
DAV: 3 -0.142841774396E+04 0.28252E-03 -0.84185E-04 1048 0.585E-02 0.900E-02
DAV: 4 -0.142841770915E+04 0.34814E-04 -0.56675E-04 1024 0.420E-02 0.329E-02
DAV: 5 -0.142841771078E+04 -0.16323E-05 -0.84752E-05 1008 0.174E-02
7 F= -.14284177E+04 E0= -.14284336E+04 d E =-.591545E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841921169E+04 -0.15025E-02 -0.38358E-01 912 0.106E+00 0.143E-01
DAV: 2 -0.142841996329E+04 -0.75159E-03 -0.10106E-02 1056 0.153E-01 0.927E-02
DAV: 3 -0.142841988627E+04 0.77021E-04 -0.40144E-04 1080 0.364E-02 0.555E-02
DAV: 4 -0.142841986387E+04 0.22397E-04 -0.11376E-04 1024 0.215E-02 0.201E-02
DAV: 5 -0.142841986277E+04 0.11022E-05 -0.22210E-05 712 0.104E-02
8 F= -.14284199E+04 E0= -.14284357E+04 d E =-.215199E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841987242E+04 -0.85484E-05 -0.19068E-03 912 0.748E-02 0.104E-02
DAV: 2 -0.142841987509E+04 -0.26706E-05 -0.48168E-05 856 0.112E-02
9 F= -.14284199E+04 E0= -.14284357E+04 d E =-.216431E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842115640E+04 -0.12840E-02 -0.35236E-01 896 0.101E+00 0.131E-01
DAV: 2 -0.142842178335E+04 -0.62695E-03 -0.80567E-03 1048 0.135E-01 0.847E-02
DAV: 3 -0.142842173391E+04 0.49444E-04 -0.25982E-04 1072 0.310E-02 0.519E-02
DAV: 4 -0.142842172066E+04 0.13250E-04 -0.10714E-04 1000 0.196E-02 0.169E-02
DAV: 5 -0.142842172072E+04 -0.59234E-07 -0.17933E-05 640 0.921E-03
10 F= -.14284217E+04 E0= -.14284375E+04 d E =-.184563E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842174646E+04 -0.25796E-04 -0.10786E-02 912 0.177E-01 0.243E-02
DAV: 2 -0.142842176667E+04 -0.20209E-04 -0.25234E-04 1064 0.238E-02 0.149E-02
DAV: 3 -0.142842176513E+04 0.15336E-05 -0.62556E-06 528 0.541E-03
11 F= -.14284218E+04 E0= -.14284375E+04 d E =-.189004E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842267831E+04 -0.91164E-03 -0.27922E-01 896 0.898E-01 0.118E-01
DAV: 2 -0.142842323415E+04 -0.55584E-03 -0.68250E-03 1056 0.123E-01 0.726E-02
DAV: 3 -0.142842320239E+04 0.31763E-04 -0.20604E-04 1056 0.272E-02 0.445E-02
DAV: 4 -0.142842319734E+04 0.50479E-05 -0.74376E-05 1024 0.182E-02
12 F= -.14284232E+04 E0= -.14284389E+04 d E =-.143221E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842324353E+04 -0.41141E-04 -0.20559E-02 912 0.243E-01 0.359E-02
DAV: 2 -0.142842328313E+04 -0.39603E-04 -0.50093E-04 1056 0.335E-02 0.209E-02
DAV: 3 -0.142842328077E+04 0.23591E-05 -0.14387E-05 624 0.790E-03
13 F= -.14284233E+04 E0= -.14284390E+04 d E =-.151564E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842406658E+04 -0.78344E-03 -0.15383E-01 896 0.660E-01 0.894E-02
DAV: 2 -0.142842434382E+04 -0.27724E-03 -0.35744E-03 1032 0.895E-02 0.552E-02
DAV: 3 -0.142842432497E+04 0.18852E-04 -0.10652E-04 1072 0.204E-02 0.332E-02
DAV: 4 -0.142842432333E+04 0.16407E-05 -0.50464E-05 984 0.142E-02
14 F= -.14284243E+04 E0= -.14284400E+04 d E =-.104255E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842442719E+04 -0.10222E-03 -0.57544E-02 896 0.403E-01 0.565E-02
DAV: 2 -0.142842453273E+04 -0.10555E-03 -0.13555E-03 1032 0.554E-02 0.343E-02
DAV: 3 -0.142842452578E+04 0.69509E-05 -0.38901E-05 904 0.129E-02
15 F= -.14284245E+04 E0= -.14284402E+04 d E =-.124501E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842514356E+04 -0.61082E-03 -0.19618E-01 896 0.741E-01 0.101E-01
DAV: 2 -0.142842547282E+04 -0.32927E-03 -0.43127E-03 1032 0.972E-02 0.607E-02
DAV: 3 -0.142842545497E+04 0.17859E-04 -0.13116E-04 1080 0.215E-02 0.360E-02
DAV: 4 -0.142842545451E+04 0.45905E-06 -0.49436E-05 992 0.152E-02
16 F= -.14284255E+04 E0= -.14284412E+04 d E =-.928723E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842550955E+04 -0.54584E-04 -0.33015E-02 896 0.304E-01 0.435E-02
DAV: 2 -0.142842556480E+04 -0.55254E-04 -0.73915E-04 1032 0.407E-02 0.250E-02
DAV: 3 -0.142842556215E+04 0.26530E-05 -0.21475E-05 680 0.928E-03
17 F= -.14284256E+04 E0= -.14284413E+04 d E =-.103637E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842615051E+04 -0.58570E-03 -0.13051E-01 896 0.604E-01 0.814E-02
DAV: 2 -0.142842637135E+04 -0.22084E-03 -0.28520E-03 1024 0.790E-02 0.496E-02
DAV: 3 -0.142842636025E+04 0.11099E-04 -0.81843E-05 1064 0.172E-02 0.295E-02
DAV: 4 -0.142842636055E+04 -0.29229E-06 -0.36958E-05 872 0.129E-02
18 F= -.14284264E+04 E0= -.14284421E+04 d E =-.798394E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842646951E+04 -0.10925E-03 -0.14885E-01 896 0.644E-01 0.868E-02
DAV: 2 -0.142842672957E+04 -0.26007E-03 -0.33304E-03 1024 0.855E-02 0.522E-02
DAV: 3 -0.142842671637E+04 0.13203E-04 -0.92134E-05 1064 0.187E-02 0.316E-02
DAV: 4 -0.142842671621E+04 0.16281E-06 -0.44988E-05 920 0.142E-02
19 F= -.14284267E+04 E0= -.14284424E+04 d E =-.115406E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842728749E+04 -0.57112E-03 -0.16984E-01 896 0.686E-01 0.938E-02
DAV: 2 -0.142842757345E+04 -0.28595E-03 -0.37187E-03 1024 0.907E-02 0.569E-02
DAV: 3 -0.142842755542E+04 0.18028E-04 -0.10987E-04 1056 0.205E-02 0.340E-02
DAV: 4 -0.142842755589E+04 -0.47506E-06 -0.52560E-05 960 0.150E-02
20 F= -.14284276E+04 E0= -.14284432E+04 d E =-.839686E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842769732E+04 -0.14190E-03 -0.39520E-02 896 0.331E-01 0.471E-02
DAV: 2 -0.142842776401E+04 -0.66696E-04 -0.87510E-04 1024 0.441E-02 0.280E-02
DAV: 3 -0.142842775976E+04 0.42556E-05 -0.23590E-05 720 0.101E-02
21 F= -.14284278E+04 E0= -.14284434E+04 d E =-.104355E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842754318E+04 0.22084E-03 -0.15641E-01 896 0.659E-01 0.910E-02
DAV: 2 -0.142842779646E+04 -0.25329E-03 -0.33302E-03 1024 0.857E-02 0.555E-02
DAV: 3 -0.142842778039E+04 0.16072E-04 -0.10123E-04 1056 0.194E-02 0.326E-02
DAV: 4 -0.142842778091E+04 -0.52267E-06 -0.45665E-05 936 0.141E-02
22 F= -.14284278E+04 E0= -.14284434E+04 d E =-.106470E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842777192E+04 0.84710E-05 -0.40647E-02 896 0.336E-01 0.427E-02
DAV: 2 -0.142842784036E+04 -0.68447E-04 -0.87257E-04 1016 0.438E-02 0.272E-02
DAV: 3 -0.142842783499E+04 0.53748E-05 -0.23850E-05 736 0.963E-03
23 F= -.14284278E+04 E0= -.14284434E+04 d E =-.111878E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842828141E+04 -0.44104E-03 -0.12848E-01 896 0.598E-01 0.763E-02
DAV: 2 -0.142842850128E+04 -0.21988E-03 -0.28020E-03 1008 0.788E-02 0.495E-02
DAV: 3 -0.142842848509E+04 0.16194E-04 -0.72287E-05 1064 0.177E-02 0.304E-02
DAV: 4 -0.142842848376E+04 0.13270E-05 -0.43287E-05 936 0.131E-02
24 F= -.14284285E+04 E0= -.14284441E+04 d E =-.648772E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842853192E+04 -0.46833E-04 -0.23396E-01 896 0.806E-01 0.109E-01
DAV: 2 -0.142842891935E+04 -0.38743E-03 -0.50317E-03 1016 0.106E-01 0.690E-02
DAV: 3 -0.142842889211E+04 0.27247E-04 -0.13460E-04 1072 0.242E-02 0.419E-02
DAV: 4 -0.142842889208E+04 0.20227E-07 -0.82104E-05 992 0.180E-02
25 F= -.14284289E+04 E0= -.14284445E+04 d E =-.105710E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842944037E+04 -0.54827E-03 -0.95791E-02 896 0.518E-01 0.725E-02
DAV: 2 -0.142842959321E+04 -0.15284E-03 -0.20974E-03 1040 0.691E-02 0.449E-02
DAV: 3 -0.142842958085E+04 0.12360E-04 -0.63322E-05 1064 0.161E-02 0.267E-02
DAV: 4 -0.142842958055E+04 0.29983E-06 -0.33230E-05 816 0.117E-02
26 F= -.14284296E+04 E0= -.14284452E+04 d E =-.688467E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842967652E+04 -0.95671E-04 -0.17552E-01 896 0.701E-01 0.962E-02
DAV: 2 -0.142842995885E+04 -0.28233E-03 -0.38017E-03 1032 0.928E-02 0.599E-02
DAV: 3 -0.142842993683E+04 0.22016E-04 -0.11400E-04 1064 0.213E-02 0.357E-02
DAV: 4 -0.142842993576E+04 0.10712E-05 -0.59592E-05 992 0.156E-02
27 F= -.14284299E+04 E0= -.14284455E+04 d E =-.104368E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843033936E+04 -0.40253E-03 -0.88157E-02 896 0.497E-01 0.687E-02
DAV: 2 -0.142843048337E+04 -0.14401E-03 -0.19061E-03 1040 0.655E-02 0.431E-02
DAV: 3 -0.142843047208E+04 0.11293E-04 -0.52107E-05 1016 0.153E-02 0.260E-02
DAV: 4 -0.142843047181E+04 0.26398E-06 -0.32590E-05 832 0.112E-02
28 F= -.14284305E+04 E0= -.14284461E+04 d E =-.536053E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843042424E+04 0.47837E-04 -0.29200E-01 896 0.905E-01 0.122E-01
DAV: 2 -0.142843090031E+04 -0.47607E-03 -0.62312E-03 1032 0.118E-01 0.775E-02
DAV: 3 -0.142843086420E+04 0.36110E-04 -0.17377E-04 1088 0.273E-02 0.465E-02
DAV: 4 -0.142843086241E+04 0.17842E-05 -0.97957E-05 1000 0.196E-02
29 F= -.14284309E+04 E0= -.14284464E+04 d E =-.926650E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843128782E+04 -0.42362E-03 -0.14968E-01 896 0.646E-01 0.891E-02
DAV: 2 -0.142843152856E+04 -0.24075E-03 -0.31866E-03 1040 0.849E-02 0.561E-02
DAV: 3 -0.142843150987E+04 0.18690E-04 -0.87539E-05 1080 0.197E-02 0.338E-02
DAV: 4 -0.142843150896E+04 0.90896E-06 -0.52889E-05 936 0.144E-02
30 F= -.14284315E+04 E0= -.14284471E+04 d E =-.646553E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843162556E+04 -0.11568E-03 -0.31229E-02 896 0.295E-01 0.419E-02
DAV: 2 -0.142843167606E+04 -0.50501E-04 -0.67480E-04 1040 0.392E-02 0.260E-02
DAV: 3 -0.142843167202E+04 0.40365E-05 -0.16977E-05 680 0.921E-03
31 F= -.14284317E+04 E0= -.14284473E+04 d E =-.809612E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843157894E+04 0.97117E-04 -0.12343E-01 896 0.587E-01 0.807E-02
DAV: 2 -0.142843176679E+04 -0.18785E-03 -0.25258E-03 1040 0.755E-02 0.512E-02
DAV: 3 -0.142843175202E+04 0.14765E-04 -0.70962E-05 1080 0.172E-02 0.301E-02
DAV: 4 -0.142843175119E+04 0.83356E-06 -0.38823E-05 888 0.125E-02
32 F= -.14284318E+04 E0= -.14284474E+04 d E =-.888780E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843205548E+04 -0.30346E-03 -0.15344E-01 896 0.652E-01 0.882E-02
DAV: 2 -0.142843229982E+04 -0.24434E-03 -0.31838E-03 1032 0.846E-02 0.551E-02
DAV: 3 -0.142843228099E+04 0.18828E-04 -0.81060E-05 1072 0.190E-02 0.331E-02
DAV: 4 -0.142843228051E+04 0.47828E-06 -0.49666E-05 928 0.141E-02
33 F= -.14284323E+04 E0= -.14284479E+04 d E =-.529324E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843239669E+04 -0.11570E-03 -0.38690E-02 896 0.327E-01 0.461E-02
DAV: 2 -0.142843245832E+04 -0.61636E-04 -0.81513E-04 1040 0.430E-02 0.282E-02
DAV: 3 -0.142843245349E+04 0.48331E-05 -0.19357E-05 712 0.990E-03
34 F= -.14284325E+04 E0= -.14284481E+04 d E =-.702300E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843240438E+04 0.53940E-04 -0.15290E-01 896 0.651E-01 0.892E-02
DAV: 2 -0.142843263533E+04 -0.23095E-03 -0.30725E-03 1040 0.830E-02 0.558E-02
DAV: 3 -0.142843261753E+04 0.17799E-04 -0.81577E-05 1064 0.186E-02 0.326E-02
DAV: 4 -0.142843261734E+04 0.18846E-06 -0.45903E-05 912 0.137E-02
35 F= -.14284326E+04 E0= -.14284483E+04 d E =-.866151E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843307501E+04 -0.45748E-03 -0.85070E-02 896 0.489E-01 0.679E-02
DAV: 2 -0.142843321331E+04 -0.13830E-03 -0.18640E-03 1040 0.658E-02 0.443E-02
DAV: 3 -0.142843319834E+04 0.14971E-04 -0.54377E-05 1024 0.159E-02 0.268E-02
DAV: 4 -0.142843319659E+04 0.17563E-05 -0.38231E-05 872 0.120E-02
36 F= -.14284332E+04 E0= -.14284489E+04 d E =-.579246E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843326049E+04 -0.62148E-04 -0.33352E-02 896 0.306E-01 0.436E-02
DAV: 2 -0.142843331522E+04 -0.54727E-04 -0.73787E-04 1048 0.414E-02 0.281E-02
DAV: 3 -0.142843330920E+04 0.60146E-05 -0.19294E-05 688 0.100E-02
37 F= -.14284333E+04 E0= -.14284490E+04 d E =-.691863E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843365229E+04 -0.33707E-03 -0.51079E-02 896 0.383E-01 0.521E-02
DAV: 2 -0.142843373095E+04 -0.78660E-04 -0.10487E-03 1048 0.492E-02 0.342E-02
DAV: 3 -0.142843372341E+04 0.75402E-05 -0.31312E-05 808 0.119E-02
38 F= -.14284337E+04 E0= -.14284494E+04 d E =-.414208E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843378310E+04 -0.52148E-04 -0.83936E-02 896 0.490E-01 0.674E-02
DAV: 2 -0.142843391049E+04 -0.12738E-03 -0.17003E-03 1048 0.626E-02 0.445E-02
DAV: 3 -0.142843389801E+04 0.12473E-04 -0.52502E-05 984 0.153E-02 0.263E-02
DAV: 4 -0.142843389725E+04 0.75876E-06 -0.29977E-05 800 0.114E-02
39 F= -.14284339E+04 E0= -.14284496E+04 d E =-.588048E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843414544E+04 -0.24743E-03 -0.31959E-02 896 0.300E-01 0.404E-02
DAV: 2 -0.142843419536E+04 -0.49919E-04 -0.65503E-04 1016 0.388E-02 0.258E-02
DAV: 3 -0.142843419156E+04 0.37925E-05 -0.16576E-05 640 0.896E-03
40 F= -.14284342E+04 E0= -.14284499E+04 d E =-.294312E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843413604E+04 0.59319E-04 -0.28592E-01 896 0.898E-01 0.118E-01
DAV: 2 -0.142843456365E+04 -0.42761E-03 -0.56508E-03 1016 0.113E-01 0.767E-02
DAV: 3 -0.142843452958E+04 0.34074E-04 -0.16061E-04 1056 0.257E-02 0.450E-02
DAV: 4 -0.142843452929E+04 0.28957E-06 -0.92581E-05 1016 0.192E-02
41 F= -.14284345E+04 E0= -.14284503E+04 d E =-.632032E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843481290E+04 -0.28332E-03 -0.68128E-02 896 0.438E-01 0.611E-02
DAV: 2 -0.142843492482E+04 -0.11192E-03 -0.14805E-03 1032 0.585E-02 0.382E-02
DAV: 3 -0.142843491713E+04 0.76933E-05 -0.44678E-05 944 0.135E-02
42 F= -.14284349E+04 E0= -.14284507E+04 d E =-.387842E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843482001E+04 0.10482E-03 -0.17860E-01 896 0.710E-01 0.992E-02
DAV: 2 -0.142843509443E+04 -0.27442E-03 -0.37079E-03 1032 0.922E-02 0.626E-02
DAV: 3 -0.142843507418E+04 0.20245E-04 -0.11785E-04 1064 0.208E-02 0.361E-02
DAV: 4 -0.142843507393E+04 0.25323E-06 -0.51301E-05 992 0.149E-02
43 F= -.14284351E+04 E0= -.14284508E+04 d E =-.544642E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843506531E+04 0.88744E-05 -0.17238E-02 896 0.221E-01 0.277E-02
DAV: 2 -0.142843509212E+04 -0.26810E-04 -0.36054E-04 1016 0.286E-02 0.185E-02
DAV: 3 -0.142843508919E+04 0.29302E-05 -0.90508E-06 520 0.613E-03
44 F= -.14284351E+04 E0= -.14284508E+04 d E =-.559901E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843539731E+04 -0.30520E-03 -0.56986E-02 896 0.404E-01 0.533E-02
DAV: 2 -0.142843549932E+04 -0.10200E-03 -0.13069E-03 1024 0.549E-02 0.341E-02
DAV: 3 -0.142843549086E+04 0.84609E-05 -0.36906E-05 864 0.126E-02
45 F= -.14284355E+04 E0= -.14284513E+04 d E =-.401670E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843553226E+04 -0.32944E-04 -0.77436E-02 896 0.471E-01 0.675E-02
DAV: 2 -0.142843565707E+04 -0.12480E-03 -0.16789E-03 1032 0.621E-02 0.426E-02
DAV: 3 -0.142843564699E+04 0.10078E-04 -0.54585E-05 1024 0.148E-02 0.247E-02
DAV: 4 -0.142843564628E+04 0.71089E-06 -0.22293E-05 648 0.103E-02
46 F= -.14284356E+04 E0= -.14284514E+04 d E =-.557089E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843587518E+04 -0.22820E-03 -0.42411E-02 896 0.347E-01 0.467E-02
DAV: 2 -0.142843594917E+04 -0.73986E-04 -0.93842E-04 1040 0.459E-02 0.288E-02
DAV: 3 -0.142843594428E+04 0.48945E-05 -0.23627E-05 752 0.103E-02
47 F= -.14284359E+04 E0= -.14284518E+04 d E =-.297999E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843584951E+04 0.99663E-04 -0.20620E-01 896 0.766E-01 0.102E-01
DAV: 2 -0.142843619516E+04 -0.34566E-03 -0.44320E-03 1032 0.995E-02 0.640E-02
DAV: 3 -0.142843617164E+04 0.23525E-04 -0.12085E-04 1056 0.220E-02 0.375E-02
DAV: 4 -0.142843617135E+04 0.29177E-06 -0.62442E-05 984 0.159E-02
48 F= -.14284362E+04 E0= -.14284520E+04 d E =-.525071E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843615761E+04 0.14024E-04 -0.10284E-02 896 0.171E-01 0.205E-02
DAV: 2 -0.142843617435E+04 -0.16738E-04 -0.21978E-04 1016 0.222E-02 0.138E-02
DAV: 3 -0.142843617263E+04 0.17178E-05 -0.52753E-06 496 0.469E-03
49 F= -.14284362E+04 E0= -.14284520E+04 d E =-.526359E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843641166E+04 -0.23731E-03 -0.29703E-02 896 0.291E-01 0.373E-02
DAV: 2 -0.142843646284E+04 -0.51178E-04 -0.66213E-04 1008 0.391E-02 0.236E-02
DAV: 3 -0.142843645826E+04 0.45801E-05 -0.16775E-05 664 0.864E-03
50 F= -.14284365E+04 E0= -.14284523E+04 d E =-.285623E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843651429E+04 -0.51453E-04 -0.84573E-02 896 0.492E-01 0.661E-02
DAV: 2 -0.142843664927E+04 -0.13498E-03 -0.17931E-03 1032 0.644E-02 0.412E-02
DAV: 3 -0.142843663850E+04 0.10771E-04 -0.54611E-05 1016 0.146E-02 0.239E-02
DAV: 4 -0.142843663770E+04 0.80631E-06 -0.24781E-05 656 0.105E-02
51 F= -.14284366E+04 E0= -.14284525E+04 d E =-.465062E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843682093E+04 -0.18242E-03 -0.37674E-02 896 0.327E-01 0.444E-02
DAV: 2 -0.142843688448E+04 -0.63550E-04 -0.83848E-04 1016 0.439E-02 0.285E-02
DAV: 3 -0.142843687899E+04 0.54872E-05 -0.21800E-05 720 0.102E-02
52 F= -.14284369E+04 E0= -.14284527E+04 d E =-.241293E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843684029E+04 0.44190E-04 -0.10552E-01 896 0.548E-01 0.749E-02
DAV: 2 -0.142843700655E+04 -0.16626E-03 -0.22464E-03 1016 0.719E-02 0.481E-02
DAV: 3 -0.142843699288E+04 0.13671E-04 -0.68306E-05 1072 0.168E-02 0.285E-02
DAV: 4 -0.142843699242E+04 0.45857E-06 -0.38756E-05 872 0.125E-02
53 F= -.14284370E+04 E0= -.14284528E+04 d E =-.354724E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843698742E+04 0.54580E-05 -0.72529E-03 896 0.144E-01 0.177E-02
DAV: 2 -0.142843699907E+04 -0.11647E-04 -0.15342E-04 992 0.187E-02 0.121E-02
DAV: 3 -0.142843699781E+04 0.12594E-05 -0.41732E-06 496 0.429E-03
54 F= -.14284370E+04 E0= -.14284528E+04 d E =-.360112E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843721048E+04 -0.21141E-03 -0.58972E-02 896 0.410E-01 0.534E-02
DAV: 2 -0.142843731607E+04 -0.10559E-03 -0.13450E-03 1040 0.552E-02 0.336E-02
DAV: 3 -0.142843730770E+04 0.83698E-05 -0.33084E-05 832 0.119E-02
55 F= -.14284373E+04 E0= -.14284531E+04 d E =-.309893E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843731198E+04 0.40945E-05 -0.73699E-02 896 0.458E-01 0.642E-02
DAV: 2 -0.142843743125E+04 -0.11927E-03 -0.15943E-03 1048 0.603E-02 0.395E-02
DAV: 3 -0.142843742259E+04 0.86588E-05 -0.46925E-05 936 0.135E-02
56 F= -.14284374E+04 E0= -.14284532E+04 d E =-.424782E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843760670E+04 -0.17545E-03 -0.62091E-02 896 0.419E-01 0.571E-02
DAV: 2 -0.142843770133E+04 -0.94634E-04 -0.12579E-03 1024 0.535E-02 0.367E-02
DAV: 3 -0.142843769450E+04 0.68374E-05 -0.34777E-05 856 0.123E-02
57 F= -.14284377E+04 E0= -.14284535E+04 d E =-.271904E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843763952E+04 0.61810E-04 -0.12506E-01 896 0.595E-01 0.791E-02
DAV: 2 -0.142843783610E+04 -0.19658E-03 -0.25553E-03 1024 0.760E-02 0.511E-02
DAV: 3 -0.142843782205E+04 0.14055E-04 -0.69736E-05 1072 0.171E-02 0.300E-02
DAV: 4 -0.142843782260E+04 -0.54941E-06 -0.37755E-05 864 0.123E-02
58 F= -.14284378E+04 E0= -.14284536E+04 d E =-.400005E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843799479E+04 -0.17274E-03 -0.62935E-02 896 0.420E-01 0.558E-02
DAV: 2 -0.142843809958E+04 -0.10479E-03 -0.13355E-03 1024 0.550E-02 0.352E-02
DAV: 3 -0.142843809194E+04 0.76433E-05 -0.31337E-05 800 0.121E-02
59 F= -.14284381E+04 E0= -.14284539E+04 d E =-.269343E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843742957E+04 0.67001E-03 -0.56134E-01 896 0.125E+00 0.166E-01
DAV: 2 -0.142843832470E+04 -0.89513E-03 -0.11605E-02 1024 0.162E-01 0.105E-01
DAV: 3 -0.142843825994E+04 0.64768E-04 -0.30232E-04 1072 0.350E-02 0.612E-02
DAV: 4 -0.142843826040E+04 -0.46508E-06 -0.16457E-04 1016 0.253E-02 0.170E-02
DAV: 5 -0.142843825967E+04 0.73444E-06 -0.25654E-05 688 0.114E-02
60 F= -.14284383E+04 E0= -.14284541E+04 d E =-.437070E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843820686E+04 0.53546E-04 -0.73092E-02 896 0.453E-01 0.582E-02
DAV: 2 -0.142843832094E+04 -0.11409E-03 -0.15137E-03 1024 0.587E-02 0.375E-02
DAV: 3 -0.142843831127E+04 0.96758E-05 -0.39406E-05 888 0.127E-02
61 F= -.14284383E+04 E0= -.14284541E+04 d E =-.488671E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843851751E+04 -0.19657E-03 -0.80704E-02 896 0.475E-01 0.591E-02
DAV: 2 -0.142843865808E+04 -0.14057E-03 -0.17673E-03 1024 0.631E-02 0.386E-02
DAV: 3 -0.142843864606E+04 0.12029E-04 -0.43044E-05 944 0.138E-02 0.233E-02
DAV: 4 -0.142843864454E+04 0.15149E-05 -0.26501E-05 728 0.102E-02
62 F= -.14284386E+04 E0= -.14284544E+04 d E =-.333273E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843866863E+04 -0.22578E-04 -0.80100E-02 896 0.473E-01 0.635E-02
DAV: 2 -0.142843880169E+04 -0.13306E-03 -0.17118E-03 1024 0.624E-02 0.403E-02
DAV: 3 -0.142843879122E+04 0.10468E-04 -0.45358E-05 960 0.141E-02 0.241E-02
DAV: 4 -0.142843879124E+04 -0.21340E-07 -0.27778E-05 776 0.104E-02
63 F= -.14284388E+04 E0= -.14284546E+04 d E =-.479976E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843899123E+04 -0.20001E-03 -0.91973E-02 896 0.509E-01 0.680E-02
DAV: 2 -0.142843914707E+04 -0.15584E-03 -0.20055E-03 1040 0.678E-02 0.451E-02
DAV: 3 -0.142843913313E+04 0.13939E-04 -0.57408E-05 1048 0.161E-02 0.270E-02
DAV: 4 -0.142843913254E+04 0.58748E-06 -0.32700E-05 856 0.115E-02
64 F= -.14284391E+04 E0= -.14284549E+04 d E =-.341299E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843914888E+04 -0.15752E-04 -0.25747E-02 896 0.269E-01 0.372E-02
DAV: 2 -0.142843919325E+04 -0.44366E-04 -0.56701E-04 1040 0.361E-02 0.243E-02
DAV: 3 -0.142843918935E+04 0.38989E-05 -0.13936E-05 600 0.866E-03
65 F= -.14284392E+04 E0= -.14284550E+04 d E =-.398106E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843936692E+04 -0.17368E-03 -0.98217E-02 896 0.524E-01 0.702E-02
DAV: 2 -0.142843952080E+04 -0.15388E-03 -0.20215E-03 1024 0.677E-02 0.454E-02
DAV: 3 -0.142843950869E+04 0.12116E-04 -0.54818E-05 1040 0.152E-02 0.264E-02
DAV: 4 -0.142843950934E+04 -0.65348E-06 -0.31332E-05 800 0.113E-02
66 F= -.14284395E+04 E0= -.14284553E+04 d E =-.319992E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843953224E+04 -0.23547E-04 -0.59442E-02 896 0.408E-01 0.543E-02
DAV: 2 -0.142843963157E+04 -0.99337E-04 -0.12641E-03 1024 0.536E-02 0.351E-02
DAV: 3 -0.142843962388E+04 0.76944E-05 -0.30377E-05 800 0.122E-02
67 F= -.14284396E+04 E0= -.14284554E+04 d E =-.434528E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843916425E+04 0.46732E-03 -0.23501E-01 896 0.811E-01 0.108E-01
DAV: 2 -0.142843953179E+04 -0.36753E-03 -0.48236E-03 1016 0.104E-01 0.701E-02
DAV: 3 -0.142843950270E+04 0.29082E-04 -0.13094E-04 1080 0.234E-02 0.408E-02
DAV: 4 -0.142843950396E+04 -0.12600E-05 -0.74119E-05 992 0.172E-02
68 F= -.14284395E+04 E0= -.14284553E+04 d E =-.314614E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843942938E+04 0.73324E-04 -0.14807E-01 896 0.644E-01 0.814E-02
DAV: 2 -0.142843966071E+04 -0.23133E-03 -0.30642E-03 1016 0.830E-02 0.541E-02
DAV: 3 -0.142843963900E+04 0.21706E-04 -0.81030E-05 1064 0.182E-02 0.313E-02
DAV: 4 -0.142843963730E+04 0.17012E-05 -0.43432E-05 928 0.132E-02
69 F= -.14284396E+04 E0= -.14284555E+04 d E =-.447952E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843980917E+04 -0.17016E-03 -0.72554E-02 896 0.450E-01 0.566E-02
DAV: 2 -0.142843992146E+04 -0.11229E-03 -0.14772E-03 1000 0.579E-02 0.375E-02
DAV: 3 -0.142843991132E+04 0.10136E-04 -0.37043E-05 880 0.126E-02 0.218E-02
DAV: 4 -0.142843991082E+04 0.49721E-06 -0.24992E-05 720 0.984E-03
70 F= -.14284399E+04 E0= -.14284557E+04 d E =-.273522E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843995598E+04 -0.44653E-04 -0.86792E-02 896 0.492E-01 0.648E-02
DAV: 2 -0.142844009662E+04 -0.14065E-03 -0.18080E-03 1000 0.641E-02 0.421E-02
DAV: 3 -0.142844008568E+04 0.10943E-04 -0.45849E-05 976 0.144E-02 0.249E-02
DAV: 4 -0.142844008603E+04 -0.34765E-06 -0.30118E-05 816 0.109E-02
71 F= -.14284401E+04 E0= -.14284559E+04 d E =-.448725E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843954163E+04 0.54405E-03 -0.34650E-01 896 0.982E-01 0.128E-01
DAV: 2 -0.142844009667E+04 -0.55504E-03 -0.71752E-03 1000 0.128E-01 0.836E-02
DAV: 3 -0.142844005227E+04 0.44406E-04 -0.18613E-04 1080 0.285E-02 0.494E-02
DAV: 4 -0.142844005254E+04 -0.27011E-06 -0.11631E-04 1024 0.213E-02 0.142E-02
DAV: 5 -0.142844005187E+04 0.66307E-06 -0.18219E-05 600 0.989E-03
72 F= -.14284401E+04 E0= -.14284558E+04 d E =-.414571E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843990171E+04 0.15083E-03 -0.16496E-01 896 0.678E-01 0.875E-02
DAV: 2 -0.142844015439E+04 -0.25268E-03 -0.33732E-03 1000 0.877E-02 0.574E-02
DAV: 3 -0.142844013183E+04 0.22558E-04 -0.91428E-05 1072 0.195E-02 0.336E-02
DAV: 4 -0.142844013062E+04 0.12136E-05 -0.53610E-05 960 0.145E-02
73 F= -.14284401E+04 E0= -.14284559E+04 d E =-.493316E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844006539E+04 0.66443E-04 -0.40970E-02 896 0.338E-01 0.423E-02
DAV: 2 -0.142844012753E+04 -0.62144E-04 -0.82846E-04 992 0.433E-02 0.281E-02
DAV: 3 -0.142844012158E+04 0.59518E-05 -0.20099E-05 728 0.943E-03
74 F= -.14284401E+04 E0= -.14284559E+04 d E =-.484279E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844023872E+04 -0.11119E-03 -0.67404E-02 896 0.433E-01 0.579E-02
DAV: 2 -0.142844034005E+04 -0.10133E-03 -0.13407E-03 1008 0.550E-02 0.371E-02
DAV: 3 -0.142844033285E+04 0.72015E-05 -0.33869E-05 848 0.121E-02
75 F= -.14284403E+04 E0= -.14284561E+04 d E =-.211268E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843977584E+04 0.56421E-03 -0.60990E-01 896 0.130E+00 0.171E-01
DAV: 2 -0.142844072308E+04 -0.94724E-03 -0.12354E-02 1000 0.166E-01 0.110E-01
DAV: 3 -0.142844065342E+04 0.69655E-04 -0.31515E-04 1080 0.363E-02 0.645E-02
DAV: 4 -0.142844065670E+04 -0.32822E-05 -0.18547E-04 1008 0.268E-02 0.179E-02
DAV: 5 -0.142844065538E+04 0.13201E-05 -0.30828E-05 768 0.125E-02
76 F= -.14284407E+04 E0= -.14284564E+04 d E =-.533802E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844096471E+04 -0.30801E-03 -0.94201E-02 896 0.514E-01 0.679E-02
DAV: 2 -0.142844112347E+04 -0.15875E-03 -0.20109E-03 1024 0.671E-02 0.430E-02
DAV: 3 -0.142844111223E+04 0.11237E-04 -0.50027E-05 976 0.147E-02 0.252E-02
DAV: 4 -0.142844111269E+04 -0.45727E-06 -0.27629E-05 760 0.105E-02
77 F= -.14284411E+04 E0= -.14284568E+04 d E =-.457303E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844110434E+04 0.78884E-05 -0.21872E-01 896 0.783E-01 0.104E-01
DAV: 2 -0.142844146484E+04 -0.36050E-03 -0.46642E-03 1024 0.103E-01 0.659E-02
DAV: 3 -0.142844143761E+04 0.27227E-04 -0.12225E-04 1080 0.228E-02 0.388E-02
DAV: 4 -0.142844143807E+04 -0.45876E-06 -0.65928E-05 1008 0.162E-02
78 F= -.14284414E+04 E0= -.14284571E+04 d E =-.782686E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844170643E+04 -0.26882E-03 -0.91018E-02 896 0.507E-01 0.686E-02
DAV: 2 -0.142844185699E+04 -0.15056E-03 -0.19677E-03 1032 0.670E-02 0.453E-02
DAV: 3 -0.142844184395E+04 0.13040E-04 -0.53654E-05 1024 0.159E-02 0.275E-02
DAV: 4 -0.142844184397E+04 -0.16124E-07 -0.38487E-05 880 0.119E-02
79 F= -.14284418E+04 E0= -.14284575E+04 d E =-.405900E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844192152E+04 -0.77567E-04 -0.18059E-02 896 0.226E-01 0.310E-02
DAV: 2 -0.142844195213E+04 -0.30607E-04 -0.39846E-04 1040 0.302E-02 0.204E-02
DAV: 3 -0.142844194926E+04 0.28715E-05 -0.88609E-06 536 0.724E-03
80 F= -.14284419E+04 E0= -.14284576E+04 d E =-.511187E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844192229E+04 0.29836E-04 -0.71113E-02 896 0.449E-01 0.605E-02
DAV: 2 -0.142844203166E+04 -0.10937E-03 -0.14752E-03 1032 0.582E-02 0.397E-02
DAV: 3 -0.142844202204E+04 0.96192E-05 -0.40542E-05 912 0.136E-02
81 F= -.14284420E+04 E0= -.14284577E+04 d E =-.583975E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844219224E+04 -0.16058E-03 -0.81606E-02 896 0.478E-01 0.655E-02
DAV: 2 -0.142844231589E+04 -0.12365E-03 -0.16576E-03 1016 0.612E-02 0.409E-02
DAV: 3 -0.142844230750E+04 0.83846E-05 -0.46613E-05 952 0.136E-02
82 F= -.14284423E+04 E0= -.14284580E+04 d E =-.285460E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844201820E+04 0.29769E-03 -0.36579E-01 896 0.101E+00 0.135E-01
DAV: 2 -0.142844259167E+04 -0.57348E-03 -0.75074E-03 1016 0.130E-01 0.849E-02
DAV: 3 -0.142844255139E+04 0.40286E-04 -0.20073E-04 1080 0.284E-02 0.490E-02
DAV: 4 -0.142844255355E+04 -0.21657E-05 -0.10758E-04 1000 0.204E-02 0.139E-02
DAV: 5 -0.142844255267E+04 0.88478E-06 -0.16751E-05 600 0.941E-03
83 F= -.14284426E+04 E0= -.14284582E+04 d E =-.530626E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844279450E+04 -0.24095E-03 -0.12653E-01 896 0.592E-01 0.783E-02
DAV: 2 -0.142844300712E+04 -0.21262E-03 -0.26929E-03 1016 0.775E-02 0.500E-02
DAV: 3 -0.142844299151E+04 0.15607E-04 -0.67649E-05 1056 0.172E-02 0.295E-02
DAV: 4 -0.142844299163E+04 -0.12161E-06 -0.37554E-05 872 0.120E-02
84 F= -.14284430E+04 E0= -.14284586E+04 d E =-.438965E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844299799E+04 -0.64750E-05 -0.10325E-01 896 0.535E-01 0.724E-02
DAV: 2 -0.142844317022E+04 -0.17224E-03 -0.22082E-03 1024 0.706E-02 0.459E-02
DAV: 3 -0.142844315737E+04 0.12851E-04 -0.56908E-05 1032 0.160E-02 0.274E-02
DAV: 4 -0.142844315770E+04 -0.32962E-06 -0.33766E-05 840 0.115E-02
85 F= -.14284432E+04 E0= -.14284588E+04 d E =-.605032E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844343686E+04 -0.27949E-03 -0.10980E-01 896 0.554E-01 0.746E-02
DAV: 2 -0.142844362415E+04 -0.18729E-03 -0.23985E-03 1016 0.740E-02 0.491E-02
DAV: 3 -0.142844360907E+04 0.15081E-04 -0.66689E-05 1064 0.172E-02 0.296E-02
DAV: 4 -0.142844360840E+04 0.66566E-06 -0.41188E-05 872 0.124E-02
86 F= -.14284436E+04 E0= -.14284592E+04 d E =-.450698E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844363601E+04 -0.26944E-04 -0.62318E-02 896 0.418E-01 0.566E-02
DAV: 2 -0.142844374368E+04 -0.10767E-03 -0.13687E-03 1032 0.559E-02 0.371E-02
DAV: 3 -0.142844373493E+04 0.87524E-05 -0.35251E-05 848 0.130E-02
87 F= -.14284437E+04 E0= -.14284594E+04 d E =-.577226E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844392499E+04 -0.18131E-03 -0.13990E-01 896 0.624E-01 0.845E-02
DAV: 2 -0.142844415622E+04 -0.23122E-03 -0.29693E-03 1032 0.810E-02 0.527E-02
DAV: 3 -0.142844413937E+04 0.16844E-04 -0.78439E-05 1064 0.174E-02 0.299E-02
DAV: 4 -0.142844413933E+04 0.48996E-07 -0.38408E-05 864 0.126E-02
88 F= -.14284441E+04 E0= -.14284597E+04 d E =-.404398E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844416247E+04 -0.23095E-04 -0.34805E-02 896 0.311E-01 0.424E-02
DAV: 2 -0.142844422410E+04 -0.61626E-04 -0.76338E-04 1032 0.411E-02 0.259E-02
DAV: 3 -0.142844421980E+04 0.42994E-05 -0.16207E-05 672 0.888E-03
89 F= -.14284442E+04 E0= -.14284598E+04 d E =-.484870E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844393362E+04 0.29048E-03 -0.13719E-01 896 0.618E-01 0.824E-02
DAV: 2 -0.142844416185E+04 -0.22823E-03 -0.29024E-03 1032 0.799E-02 0.514E-02
DAV: 3 -0.142844414529E+04 0.16565E-04 -0.73032E-05 1048 0.169E-02 0.294E-02
DAV: 4 -0.142844414502E+04 0.26663E-06 -0.37785E-05 864 0.125E-02
90 F= -.14284441E+04 E0= -.14284597E+04 d E =-.410095E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844411053E+04 0.34763E-04 -0.79463E-02 896 0.471E-01 0.596E-02
DAV: 2 -0.142844424288E+04 -0.13235E-03 -0.17030E-03 1016 0.612E-02 0.383E-02
DAV: 3 -0.142844423184E+04 0.11039E-04 -0.42492E-05 952 0.127E-02 0.219E-02
DAV: 4 -0.142844423073E+04 0.11115E-05 -0.20979E-05 616 0.955E-03
91 F= -.14284442E+04 E0= -.14284598E+04 d E =-.495798E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844438271E+04 -0.15087E-03 -0.11371E-01 896 0.563E-01 0.711E-02
DAV: 2 -0.142844457100E+04 -0.18829E-03 -0.23921E-03 1016 0.728E-02 0.470E-02
DAV: 3 -0.142844455539E+04 0.15608E-04 -0.58889E-05 1056 0.160E-02 0.277E-02
DAV: 4 -0.142844455416E+04 0.12352E-05 -0.35399E-05 864 0.118E-02
92 F= -.14284446E+04 E0= -.14284601E+04 d E =-.323431E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844458051E+04 -0.25120E-04 -0.45315E-02 896 0.355E-01 0.474E-02
DAV: 2 -0.142844465837E+04 -0.77858E-04 -0.97432E-04 1016 0.466E-02 0.305E-02
DAV: 3 -0.142844465253E+04 0.58439E-05 -0.22230E-05 752 0.106E-02
93 F= -.14284447E+04 E0= -.14284603E+04 d E =-.421801E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844433733E+04 0.32104E-03 -0.17907E-01 896 0.707E-01 0.934E-02
DAV: 2 -0.142844462711E+04 -0.28977E-03 -0.37173E-03 1016 0.909E-02 0.604E-02
DAV: 3 -0.142844460551E+04 0.21598E-04 -0.95483E-05 1080 0.203E-02 0.355E-02
DAV: 4 -0.142844460582E+04 -0.31044E-06 -0.57595E-05 960 0.149E-02
94 F= -.14284446E+04 E0= -.14284602E+04 d E =-.375093E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844454451E+04 0.61002E-04 -0.87408E-02 896 0.494E-01 0.616E-02
DAV: 2 -0.142844468581E+04 -0.14131E-03 -0.18231E-03 1008 0.635E-02 0.409E-02
DAV: 3 -0.142844467346E+04 0.12352E-04 -0.44476E-05 976 0.138E-02 0.239E-02
DAV: 4 -0.142844467242E+04 0.10447E-05 -0.26456E-05 752 0.103E-02
95 F= -.14284447E+04 E0= -.14284603E+04 d E =-.441692E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844485663E+04 -0.18317E-03 -0.80934E-02 896 0.474E-01 0.608E-02
DAV: 2 -0.142844498832E+04 -0.13169E-03 -0.17214E-03 1016 0.620E-02 0.403E-02
DAV: 3 -0.142844497703E+04 0.11295E-04 -0.44988E-05 960 0.139E-02 0.238E-02
DAV: 4 -0.142844497660E+04 0.42970E-06 -0.28839E-05 792 0.105E-02
96 F= -.14284450E+04 E0= -.14284606E+04 d E =-.304180E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844500993E+04 -0.32900E-04 -0.41709E-02 896 0.340E-01 0.460E-02
DAV: 2 -0.142844508100E+04 -0.71078E-04 -0.91137E-04 1016 0.453E-02 0.298E-02
DAV: 3 -0.142844507559E+04 0.54160E-05 -0.22137E-05 760 0.105E-02
97 F= -.14284451E+04 E0= -.14284607E+04 d E =-.403171E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844532224E+04 -0.24123E-03 -0.99155E-02 896 0.526E-01 0.716E-02
DAV: 2 -0.142844548256E+04 -0.16032E-03 -0.21225E-03 1032 0.688E-02 0.447E-02
DAV: 3 -0.142844547159E+04 0.10966E-04 -0.60950E-05 1056 0.150E-02 0.259E-02
DAV: 4 -0.142844547220E+04 -0.60604E-06 -0.28540E-05 768 0.109E-02
98 F= -.14284455E+04 E0= -.14284611E+04 d E =-.396612E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844550640E+04 -0.34802E-04 -0.59381E-02 896 0.407E-01 0.548E-02
DAV: 2 -0.142844560872E+04 -0.10232E-03 -0.13106E-03 1032 0.539E-02 0.341E-02
DAV: 3 -0.142844560155E+04 0.71657E-05 -0.32074E-05 864 0.118E-02
99 F= -.14284456E+04 E0= -.14284612E+04 d E =-.525963E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844580099E+04 -0.19227E-03 -0.90113E-02 896 0.502E-01 0.676E-02
DAV: 2 -0.142844593820E+04 -0.13721E-03 -0.18473E-03 1024 0.645E-02 0.444E-02
DAV: 3 -0.142844592774E+04 0.10454E-04 -0.53755E-05 1048 0.150E-02 0.262E-02
DAV: 4 -0.142844592837E+04 -0.62201E-06 -0.30909E-05 832 0.108E-02
100 F= -.14284459E+04 E0= -.14284616E+04 d E =-.326814E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844595335E+04 -0.25604E-04 -0.56309E-02 896 0.397E-01 0.521E-02
DAV: 2 -0.142844604683E+04 -0.93480E-04 -0.12065E-03 1024 0.519E-02 0.347E-02
DAV: 3 -0.142844603951E+04 0.73156E-05 -0.30046E-05 824 0.120E-02
101 F= -.14284460E+04 E0= -.14284617E+04 d E =-.437960E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844556969E+04 0.47713E-03 -0.22283E-01 896 0.790E-01 0.105E-01
DAV: 2 -0.142844591467E+04 -0.34497E-03 -0.45942E-03 1024 0.101E-01 0.694E-02
DAV: 3 -0.142844588766E+04 0.27008E-04 -0.13057E-04 1104 0.234E-02 0.412E-02
DAV: 4 -0.142844588792E+04 -0.26259E-06 -0.76167E-05 968 0.168E-02
102 F= -.14284459E+04 E0= -.14284615E+04 d E =-.286371E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844583932E+04 0.48342E-04 -0.14925E-01 896 0.647E-01 0.814E-02
DAV: 2 -0.142844607279E+04 -0.23347E-03 -0.30908E-03 1008 0.828E-02 0.551E-02
DAV: 3 -0.142844605202E+04 0.20770E-04 -0.84531E-05 1096 0.186E-02 0.325E-02
DAV: 4 -0.142844604980E+04 0.22214E-05 -0.46775E-05 896 0.132E-02
103 F= -.14284460E+04 E0= -.14284617E+04 d E =-.448247E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844616496E+04 -0.11294E-03 -0.78534E-02 896 0.467E-01 0.584E-02
DAV: 2 -0.142844628998E+04 -0.12502E-03 -0.16226E-03 976 0.596E-02 0.381E-02
DAV: 3 -0.142844628004E+04 0.99366E-05 -0.38860E-05 952 0.125E-02
104 F= -.14284463E+04 E0= -.14284619E+04 d E =-.230245E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844621680E+04 0.73177E-04 -0.16379E-01 896 0.674E-01 0.894E-02
DAV: 2 -0.142844647026E+04 -0.25345E-03 -0.33147E-03 1000 0.856E-02 0.569E-02
DAV: 3 -0.142844645324E+04 0.17013E-04 -0.87389E-05 1088 0.186E-02 0.328E-02
DAV: 4 -0.142844645471E+04 -0.14698E-05 -0.46022E-05 920 0.135E-02
105 F= -.14284465E+04 E0= -.14284621E+04 d E =-.404916E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844667013E+04 -0.21688E-03 -0.60294E-02 896 0.406E-01 0.553E-02
DAV: 2 -0.142844677464E+04 -0.10451E-03 -0.13312E-03 1008 0.541E-02 0.347E-02
DAV: 3 -0.142844676645E+04 0.81856E-05 -0.33370E-05 904 0.121E-02
106 F= -.14284468E+04 E0= -.14284623E+04 d E =-.311739E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844659445E+04 0.18019E-03 -0.20719E-01 896 0.754E-01 0.104E-01
DAV: 2 -0.142844692961E+04 -0.33516E-03 -0.44136E-03 1000 0.987E-02 0.650E-02
DAV: 3 -0.142844690360E+04 0.26013E-04 -0.12692E-04 1080 0.220E-02 0.373E-02
DAV: 4 -0.142844690348E+04 0.11857E-06 -0.60980E-05 1000 0.157E-02
107 F= -.14284469E+04 E0= -.14284624E+04 d E =-.448765E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844688301E+04 0.20590E-04 -0.26612E-02 896 0.271E-01 0.342E-02
DAV: 2 -0.142844692564E+04 -0.42629E-04 -0.57300E-04 968 0.354E-02 0.225E-02
DAV: 3 -0.142844692137E+04 0.42653E-05 -0.14288E-05 672 0.753E-03
108 F= -.14284469E+04 E0= -.14284625E+04 d E =-.466657E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844710391E+04 -0.17827E-03 -0.43006E-02 896 0.344E-01 0.427E-02
DAV: 2 -0.142844717903E+04 -0.75118E-04 -0.93285E-04 992 0.450E-02 0.288E-02
DAV: 3 -0.142844717274E+04 0.62825E-05 -0.19908E-05 760 0.979E-03
109 F= -.14284472E+04 E0= -.14284627E+04 d E =-.251373E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844695020E+04 0.22883E-03 -0.38180E-01 896 0.103E+00 0.134E-01
DAV: 2 -0.142844757280E+04 -0.62260E-03 -0.79144E-03 992 0.131E-01 0.887E-02
DAV: 3 -0.142844752611E+04 0.46689E-04 -0.20217E-04 1096 0.293E-02 0.521E-02
DAV: 4 -0.142844752662E+04 -0.51323E-06 -0.11316E-04 1008 0.207E-02 0.142E-02
DAV: 5 -0.142844752643E+04 0.18805E-06 -0.17917E-05 672 0.951E-03
110 F= -.14284475E+04 E0= -.14284631E+04 d E =-.605061E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844769238E+04 -0.16576E-03 -0.10016E-01 896 0.524E-01 0.684E-02
DAV: 2 -0.142844786469E+04 -0.17231E-03 -0.21466E-03 1016 0.680E-02 0.436E-02
DAV: 3 -0.142844785346E+04 0.11229E-04 -0.51457E-05 1024 0.143E-02 0.254E-02
DAV: 4 -0.142844785374E+04 -0.27484E-06 -0.25386E-05 760 0.101E-02
111 F= -.14284479E+04 E0= -.14284634E+04 d E =-.327306E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844784423E+04 0.92303E-05 -0.10841E-01 896 0.545E-01 0.721E-02
DAV: 2 -0.142844802880E+04 -0.18457E-03 -0.23252E-03 1016 0.710E-02 0.457E-02
DAV: 3 -0.142844801627E+04 0.12532E-04 -0.57391E-05 1040 0.153E-02 0.268E-02
DAV: 4 -0.142844801663E+04 -0.36301E-06 -0.29203E-05 792 0.108E-02
112 F= -.14284480E+04 E0= -.14284635E+04 d E =-.490202E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844823718E+04 -0.22091E-03 -0.60629E-02 896 0.408E-01 0.553E-02
DAV: 2 -0.142844834036E+04 -0.10318E-03 -0.13250E-03 1016 0.540E-02 0.361E-02
DAV: 3 -0.142844833170E+04 0.86630E-05 -0.34254E-05 920 0.126E-02
113 F= -.14284483E+04 E0= -.14284639E+04 d E =-.315062E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844823517E+04 0.10519E-03 -0.16372E-01 896 0.671E-01 0.924E-02
DAV: 2 -0.142844849411E+04 -0.25894E-03 -0.34453E-03 1008 0.873E-02 0.599E-02
DAV: 3 -0.142844847239E+04 0.21721E-04 -0.99432E-05 1088 0.203E-02 0.350E-02
DAV: 4 -0.142844847286E+04 -0.47371E-06 -0.58165E-05 960 0.147E-02
114 F= -.14284485E+04 E0= -.14284640E+04 d E =-.456229E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844846029E+04 0.12101E-04 -0.15024E-02 896 0.203E-01 0.256E-02
DAV: 2 -0.142844848286E+04 -0.22569E-04 -0.31346E-04 1008 0.262E-02 0.174E-02
DAV: 3 -0.142844848021E+04 0.26497E-05 -0.80618E-06 520 0.584E-03
115 F= -.14284485E+04 E0= -.14284640E+04 d E =-.463573E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844864629E+04 -0.16344E-03 -0.59553E-02 896 0.405E-01 0.511E-02
DAV: 2 -0.142844874630E+04 -0.10000E-03 -0.12693E-03 992 0.527E-02 0.342E-02
DAV: 3 -0.142844873814E+04 0.81563E-05 -0.30423E-05 880 0.116E-02
116 F= -.14284487E+04 E0= -.14284643E+04 d E =-.257932E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844861989E+04 0.12641E-03 -0.21835E-01 896 0.776E-01 0.103E-01
DAV: 2 -0.142844896380E+04 -0.34392E-03 -0.44800E-03 1016 0.992E-02 0.678E-02
DAV: 3 -0.142844893754E+04 0.26264E-04 -0.12015E-04 1088 0.222E-02 0.394E-02
DAV: 4 -0.142844893854E+04 -0.10034E-05 -0.64441E-05 992 0.156E-02
117 F= -.14284489E+04 E0= -.14284645E+04 d E =-.458337E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844909997E+04 -0.16243E-03 -0.65883E-02 896 0.425E-01 0.566E-02
DAV: 2 -0.142844920911E+04 -0.10913E-03 -0.13781E-03 1000 0.546E-02 0.361E-02
DAV: 3 -0.142844920199E+04 0.71184E-05 -0.31702E-05 864 0.119E-02
118 F= -.14284492E+04 E0= -.14284648E+04 d E =-.263445E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844868088E+04 0.52823E-03 -0.58724E-01 896 0.127E+00 0.167E-01
DAV: 2 -0.142844960660E+04 -0.92572E-03 -0.11949E-02 992 0.161E-01 0.107E-01
DAV: 3 -0.142844954404E+04 0.62560E-04 -0.29893E-04 1080 0.342E-02 0.621E-02
DAV: 4 -0.142844954757E+04 -0.35265E-05 -0.15561E-04 1016 0.241E-02 0.165E-02
DAV: 5 -0.142844954679E+04 0.77851E-06 -0.26237E-05 736 0.114E-02
119 F= -.14284495E+04 E0= -.14284651E+04 d E =-.608248E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844971538E+04 -0.16781E-03 -0.10400E-01 896 0.534E-01 0.696E-02
DAV: 2 -0.142844989312E+04 -0.17775E-03 -0.21918E-03 976 0.683E-02 0.448E-02
DAV: 3 -0.142844988191E+04 0.11215E-04 -0.49314E-05 1024 0.144E-02 0.261E-02
DAV: 4 -0.142844988239E+04 -0.47656E-06 -0.26812E-05 808 0.102E-02
120 F= -.14284499E+04 E0= -.14284655E+04 d E =-.335595E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844966170E+04 0.22021E-03 -0.36549E-01 896 0.100E+00 0.130E-01
DAV: 2 -0.142845027605E+04 -0.61434E-03 -0.76945E-03 976 0.128E-01 0.843E-02
DAV: 3 -0.142845023395E+04 0.42096E-04 -0.18174E-04 1080 0.275E-02 0.493E-02
DAV: 4 -0.142845023484E+04 -0.88396E-06 -0.99688E-05 1024 0.194E-02
121 F= -.14284502E+04 E0= -.14284658E+04 d E =-.688044E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845049339E+04 -0.25943E-03 -0.46698E-02 896 0.360E-01 0.492E-02
DAV: 2 -0.142845057797E+04 -0.84586E-04 -0.10451E-03 1024 0.479E-02 0.320E-02
DAV: 3 -0.142845057164E+04 0.63360E-05 -0.26879E-05 840 0.111E-02
122 F= -.14284506E+04 E0= -.14284661E+04 d E =-.336801E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845035625E+04 0.22173E-03 -0.23958E-01 896 0.816E-01 0.110E-01
DAV: 2 -0.142845075982E+04 -0.40357E-03 -0.51677E-03 1024 0.107E-01 0.723E-02
DAV: 3 -0.142845072747E+04 0.32346E-04 -0.14874E-04 1096 0.241E-02 0.419E-02
DAV: 4 -0.142845072598E+04 0.14850E-05 -0.68390E-05 1000 0.164E-02
123 F= -.14284507E+04 E0= -.14284663E+04 d E =-.491148E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845071830E+04 0.91718E-05 -0.33973E-02 896 0.308E-01 0.385E-02
DAV: 2 -0.142845077482E+04 -0.56518E-04 -0.73915E-04 1000 0.403E-02 0.265E-02
DAV: 3 -0.142845076890E+04 0.59159E-05 -0.19246E-05 720 0.890E-03
124 F= -.14284508E+04 E0= -.14284663E+04 d E =-.534064E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845095005E+04 -0.17523E-03 -0.42301E-02 896 0.341E-01 0.426E-02
DAV: 2 -0.142845102490E+04 -0.74848E-04 -0.92233E-04 1016 0.446E-02 0.277E-02
DAV: 3 -0.142845101898E+04 0.59220E-05 -0.18978E-05 728 0.933E-03
125 F= -.14284510E+04 E0= -.14284666E+04 d E =-.250076E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845090298E+04 0.12192E-03 -0.23713E-01 896 0.807E-01 0.107E-01
DAV: 2 -0.142845128786E+04 -0.38488E-03 -0.49096E-03 1040 0.103E-01 0.684E-02
DAV: 3 -0.142845125971E+04 0.28142E-04 -0.12073E-04 1104 0.220E-02 0.394E-02
DAV: 4 -0.142845126116E+04 -0.14449E-05 -0.66212E-05 976 0.157E-02
126 F= -.14284513E+04 E0= -.14284668E+04 d E =-.492259E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845124466E+04 0.15057E-04 -0.74681E-03 896 0.144E-01 0.175E-02
DAV: 2 -0.142845125544E+04 -0.10784E-04 -0.15361E-04 1016 0.183E-02 0.119E-02
DAV: 3 -0.142845125408E+04 0.13633E-05 -0.37266E-06 496 0.385E-03
127 F= -.14284513E+04 E0= -.14284668E+04 d E =-.485178E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845144084E+04 -0.18540E-03 -0.22289E-02 896 0.248E-01 0.321E-02
DAV: 2 -0.142845147800E+04 -0.37158E-04 -0.48449E-04 1032 0.331E-02 0.212E-02
DAV: 3 -0.142845147431E+04 0.36895E-05 -0.12024E-05 616 0.751E-03
128 F= -.14284515E+04 E0= -.14284670E+04 d E =-.220231E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845152182E+04 -0.43820E-04 -0.63056E-02 896 0.417E-01 0.568E-02
DAV: 2 -0.142845161902E+04 -0.97201E-04 -0.13049E-03 1048 0.545E-02 0.369E-02
DAV: 3 -0.142845161014E+04 0.88749E-05 -0.38641E-05 920 0.126E-02
129 F= -.14284516E+04 E0= -.14284671E+04 d E =-.356067E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845175227E+04 -0.13325E-03 -0.28272E-02 896 0.279E-01 0.394E-02
DAV: 2 -0.142845179553E+04 -0.43260E-04 -0.58116E-04 1032 0.361E-02 0.255E-02
DAV: 3 -0.142845179191E+04 0.36171E-05 -0.16135E-05 672 0.834E-03
130 F= -.14284518E+04 E0= -.14284673E+04 d E =-.181770E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845175017E+04 0.45366E-04 -0.10586E-01 896 0.540E-01 0.720E-02
DAV: 2 -0.142845192253E+04 -0.17237E-03 -0.22290E-03 1032 0.702E-02 0.472E-02
DAV: 3 -0.142845190818E+04 0.14349E-04 -0.60765E-05 1056 0.155E-02 0.271E-02
DAV: 4 -0.142845190752E+04 0.66606E-06 -0.31057E-05 808 0.109E-02
131 F= -.14284519E+04 E0= -.14284674E+04 d E =-.297372E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845204434E+04 -0.13616E-03 -0.26978E-02 896 0.271E-01 0.363E-02
DAV: 2 -0.142845208933E+04 -0.44990E-04 -0.56980E-04 1016 0.354E-02 0.235E-02
DAV: 3 -0.142845208583E+04 0.35040E-05 -0.12275E-05 624 0.793E-03
132 F= -.14284521E+04 E0= -.14284676E+04 d E =-.178312E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845192296E+04 0.16638E-03 -0.24054E-01 896 0.811E-01 0.107E-01
DAV: 2 -0.142845230152E+04 -0.37857E-03 -0.49222E-03 1016 0.104E-01 0.697E-02
DAV: 3 -0.142845227164E+04 0.29880E-04 -0.12656E-04 1088 0.227E-02 0.402E-02
DAV: 4 -0.142845227184E+04 -0.19924E-06 -0.72353E-05 1016 0.163E-02
133 F= -.14284523E+04 E0= -.14284678E+04 d E =-.364325E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845224765E+04 0.23992E-04 -0.19115E-02 896 0.229E-01 0.283E-02
DAV: 2 -0.142845227608E+04 -0.28426E-04 -0.38887E-04 1008 0.292E-02 0.192E-02
DAV: 3 -0.142845227293E+04 0.31445E-05 -0.94135E-06 544 0.626E-03
134 F= -.14284523E+04 E0= -.14284678E+04 d E =-.365415E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845245319E+04 -0.17711E-03 -0.17674E-02 896 0.223E-01 0.280E-02
DAV: 2 -0.142845248506E+04 -0.31873E-04 -0.40319E-04 1024 0.302E-02 0.189E-02
DAV: 3 -0.142845248185E+04 0.32127E-05 -0.88824E-06 576 0.656E-03
135 F= -.14284525E+04 E0= -.14284680E+04 d E =-.208915E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845253743E+04 -0.52371E-04 -0.63662E-02 896 0.423E-01 0.564E-02
DAV: 2 -0.142845264202E+04 -0.10459E-03 -0.13615E-03 1032 0.556E-02 0.372E-02
DAV: 3 -0.142845263230E+04 0.97278E-05 -0.37454E-05 904 0.125E-02
136 F= -.14284526E+04 E0= -.14284681E+04 d E =-.359364E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845277485E+04 -0.13283E-03 -0.20827E-02 896 0.241E-01 0.341E-02
DAV: 2 -0.142845280705E+04 -0.32197E-04 -0.43093E-04 1048 0.312E-02 0.218E-02
DAV: 3 -0.142845280447E+04 0.25825E-05 -0.12084E-05 632 0.738E-03
137 F= -.14284528E+04 E0= -.14284683E+04 d E =-.172172E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845278035E+04 0.26696E-04 -0.10796E-01 896 0.550E-01 0.722E-02
DAV: 2 -0.142845296074E+04 -0.18039E-03 -0.22993E-03 1040 0.715E-02 0.470E-02
DAV: 3 -0.142845294612E+04 0.14627E-04 -0.62983E-05 1064 0.159E-02 0.270E-02
DAV: 4 -0.142845294583E+04 0.28252E-06 -0.28552E-05 760 0.108E-02
138 F= -.14284529E+04 E0= -.14284684E+04 d E =-.313540E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845306870E+04 -0.12258E-03 -0.36884E-02 896 0.318E-01 0.430E-02
DAV: 2 -0.142845313089E+04 -0.62188E-04 -0.80807E-04 1032 0.427E-02 0.277E-02
DAV: 3 -0.142845312539E+04 0.55027E-05 -0.20835E-05 760 0.978E-03
139 F= -.14284531E+04 E0= -.14284686E+04 d E =-.179552E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845311366E+04 0.17225E-04 -0.36839E-02 896 0.319E-01 0.447E-02
DAV: 2 -0.142845317003E+04 -0.56370E-04 -0.76803E-04 1024 0.417E-02 0.287E-02
DAV: 3 -0.142845316496E+04 0.50757E-05 -0.22565E-05 784 0.968E-03
140 F= -.14284532E+04 E0= -.14284686E+04 d E =-.219123E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845330983E+04 -0.13979E-03 -0.34535E-02 896 0.307E-01 0.415E-02
DAV: 2 -0.142845336321E+04 -0.53387E-04 -0.69984E-04 1016 0.394E-02 0.270E-02
DAV: 3 -0.142845335897E+04 0.42394E-05 -0.17380E-05 704 0.871E-03
141 F= -.14284534E+04 E0= -.14284688E+04 d E =-.194015E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845312160E+04 0.24161E-03 -0.31291E-01 896 0.925E-01 0.120E-01
DAV: 2 -0.142845362676E+04 -0.50516E-03 -0.64779E-03 1008 0.119E-01 0.792E-02
DAV: 3 -0.142845358783E+04 0.38928E-04 -0.16683E-04 1088 0.258E-02 0.461E-02
DAV: 4 -0.142845358785E+04 -0.24593E-07 -0.90579E-05 1008 0.182E-02
142 F= -.14284536E+04 E0= -.14284690E+04 d E =-.422895E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845355386E+04 0.33965E-04 -0.19546E-02 896 0.232E-01 0.281E-02
DAV: 2 -0.142845358355E+04 -0.29687E-04 -0.40337E-04 976 0.298E-02 0.194E-02
DAV: 3 -0.142845358043E+04 0.31254E-05 -0.94160E-06 600 0.623E-03
143 F= -.14284536E+04 E0= -.14284690E+04 d E =-.415468E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845380105E+04 -0.21750E-03 -0.72602E-02 896 0.448E-01 0.567E-02
DAV: 2 -0.142845392522E+04 -0.12416E-03 -0.15924E-03 1024 0.595E-02 0.378E-02
DAV: 3 -0.142845391399E+04 0.11225E-04 -0.42064E-05 952 0.129E-02 0.221E-02
DAV: 4 -0.142845391274E+04 0.12527E-05 -0.18381E-05 592 0.863E-03
144 F= -.14284539E+04 E0= -.14284693E+04 d E =-.332312E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845393696E+04 -0.22974E-04 -0.28435E-02 896 0.280E-01 0.374E-02
DAV: 2 -0.142845398496E+04 -0.47993E-04 -0.61290E-04 1032 0.370E-02 0.242E-02
DAV: 3 -0.142845398092E+04 0.40371E-05 -0.14668E-05 656 0.823E-03
145 F= -.14284540E+04 E0= -.14284694E+04 d E =-.400494E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845410892E+04 -0.12396E-03 -0.59704E-02 896 0.406E-01 0.547E-02
DAV: 2 -0.142845421009E+04 -0.10117E-03 -0.13050E-03 1008 0.536E-02 0.365E-02
DAV: 3 -0.142845420149E+04 0.85939E-05 -0.34282E-05 920 0.120E-02
146 F= -.14284542E+04 E0= -.14284696E+04 d E =-.220574E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845420416E+04 0.59297E-05 -0.21000E-02 896 0.241E-01 0.348E-02
DAV: 2 -0.142845423631E+04 -0.32148E-04 -0.43664E-04 1008 0.313E-02 0.226E-02
DAV: 3 -0.142845423377E+04 0.25310E-05 -0.12350E-05 664 0.736E-03
147 F= -.14284542E+04 E0= -.14284697E+04 d E =-.252855E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845434539E+04 -0.10909E-03 -0.59439E-02 896 0.403E-01 0.537E-02
DAV: 2 -0.142845444045E+04 -0.95055E-04 -0.12401E-03 1016 0.525E-02 0.345E-02
DAV: 3 -0.142845443398E+04 0.64726E-05 -0.33226E-05 920 0.111E-02
148 F= -.14284544E+04 E0= -.14284699E+04 d E =-.200201E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845440414E+04 0.36311E-04 -0.77496E-02 896 0.461E-01 0.627E-02
DAV: 2 -0.142845452434E+04 -0.12020E-03 -0.15901E-03 1016 0.595E-02 0.401E-02
DAV: 3 -0.142845451636E+04 0.79785E-05 -0.45650E-05 992 0.129E-02
149 F= -.14284545E+04 E0= -.14284700E+04 d E =-.282584E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845467080E+04 -0.14646E-03 -0.48504E-02 896 0.363E-01 0.499E-02
DAV: 2 -0.142845474347E+04 -0.72671E-04 -0.96786E-04 1016 0.463E-02 0.322E-02
DAV: 3 -0.142845473848E+04 0.49867E-05 -0.27136E-05 840 0.101E-02
150 F= -.14284547E+04 E0= -.14284702E+04 d E =-.222120E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845457801E+04 0.16546E-03 -0.24084E-01 896 0.809E-01 0.106E-01
DAV: 2 -0.142845496054E+04 -0.38253E-03 -0.49338E-03 1008 0.104E-01 0.694E-02
DAV: 3 -0.142845493275E+04 0.27791E-04 -0.12673E-04 1080 0.217E-02 0.400E-02
DAV: 4 -0.142845493381E+04 -0.10643E-05 -0.65202E-05 1008 0.158E-02
151 F= -.14284549E+04 E0= -.14284703E+04 d E =-.417452E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845491020E+04 0.22550E-04 -0.11768E-02 896 0.179E-01 0.218E-02
DAV: 2 -0.142845492774E+04 -0.17547E-04 -0.24163E-04 984 0.230E-02 0.151E-02
DAV: 3 -0.142845492570E+04 0.20446E-05 -0.56169E-06 496 0.469E-03
152 F= -.14284549E+04 E0= -.14284703E+04 d E =-.409341E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845508263E+04 -0.15488E-03 -0.74443E-02 896 0.450E-01 0.568E-02
DAV: 2 -0.142845521219E+04 -0.12956E-03 -0.16307E-03 984 0.595E-02 0.386E-02
DAV: 3 -0.142845520072E+04 0.11474E-04 -0.38170E-05 928 0.127E-02 0.228E-02
DAV: 4 -0.142845519940E+04 0.13131E-05 -0.23085E-05 712 0.956E-03
153 F= -.14284552E+04 E0= -.14284706E+04 d E =-.273703E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845521493E+04 -0.14212E-04 -0.43120E-02 896 0.342E-01 0.450E-02
DAV: 2 -0.142845528987E+04 -0.74939E-04 -0.93664E-04 984 0.452E-02 0.299E-02
DAV: 3 -0.142845528375E+04 0.61134E-05 -0.21039E-05 816 0.989E-03
154 F= -.14284553E+04 E0= -.14284707E+04 d E =-.358054E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845541638E+04 -0.12651E-03 -0.76643E-02 896 0.457E-01 0.595E-02
DAV: 2 -0.142845553717E+04 -0.12079E-03 -0.15474E-03 1008 0.581E-02 0.393E-02
DAV: 3 -0.142845552773E+04 0.94337E-05 -0.37945E-05 912 0.124E-02
155 F= -.14284555E+04 E0= -.14284709E+04 d E =-.243980E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845550371E+04 0.33453E-04 -0.69219E-02 896 0.434E-01 0.573E-02
DAV: 2 -0.142845561061E+04 -0.10689E-03 -0.13728E-03 1008 0.546E-02 0.376E-02
DAV: 3 -0.142845560251E+04 0.80990E-05 -0.34320E-05 912 0.118E-02
156 F= -.14284556E+04 E0= -.14284710E+04 d E =-.318755E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845571700E+04 -0.10639E-03 -0.47869E-02 896 0.360E-01 0.478E-02
DAV: 2 -0.142845578930E+04 -0.72304E-04 -0.94089E-04 992 0.452E-02 0.310E-02
DAV: 3 -0.142845578448E+04 0.48166E-05 -0.22158E-05 808 0.956E-03
157 F= -.14284558E+04 E0= -.14284711E+04 d E =-.181975E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845542843E+04 0.36087E-03 -0.43433E-01 896 0.108E+00 0.138E-01
DAV: 2 -0.142845612005E+04 -0.69162E-03 -0.88090E-03 992 0.138E-01 0.912E-02
DAV: 3 -0.142845607126E+04 0.48784E-04 -0.20519E-04 1088 0.283E-02 0.527E-02
DAV: 4 -0.142845607424E+04 -0.29806E-05 -0.11629E-04 1024 0.211E-02 0.137E-02
DAV: 5 -0.142845607381E+04 0.43636E-06 -0.19420E-05 656 0.985E-03
158 F= -.14284561E+04 E0= -.14284714E+04 d E =-.471297E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845624942E+04 -0.17518E-03 -0.85454E-02 896 0.480E-01 0.623E-02
DAV: 2 -0.142845639613E+04 -0.14671E-03 -0.18267E-03 992 0.625E-02 0.408E-02
DAV: 3 -0.142845638603E+04 0.10092E-04 -0.41118E-05 976 0.129E-02 0.239E-02
DAV: 4 -0.142845638655E+04 -0.51362E-06 -0.23994E-05 752 0.964E-03
159 F= -.14284564E+04 E0= -.14284717E+04 d E =-.312743E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845627722E+04 0.10882E-03 -0.22323E-01 896 0.775E-01 0.101E-01
DAV: 2 -0.142845665278E+04 -0.37556E-03 -0.47616E-03 992 0.101E-01 0.662E-02
DAV: 3 -0.142845662566E+04 0.27119E-04 -0.11399E-04 1072 0.212E-02 0.390E-02
DAV: 4 -0.142845662640E+04 -0.74722E-06 -0.64408E-05 1008 0.157E-02
160 F= -.14284566E+04 E0= -.14284719E+04 d E =-.552598E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845676718E+04 -0.14152E-03 -0.12477E-01 896 0.581E-01 0.765E-02
DAV: 2 -0.142845697737E+04 -0.21019E-03 -0.26452E-03 976 0.758E-02 0.496E-02
DAV: 3 -0.142845696347E+04 0.13902E-04 -0.64819E-05 1056 0.159E-02 0.290E-02
DAV: 4 -0.142845696426E+04 -0.78708E-06 -0.32674E-05 856 0.114E-02
161 F= -.14284570E+04 E0= -.14284722E+04 d E =-.337853E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845701925E+04 -0.55779E-04 -0.15871E-02 896 0.207E-01 0.281E-02
DAV: 2 -0.142845704659E+04 -0.27344E-04 -0.34059E-04 992 0.273E-02 0.179E-02
DAV: 3 -0.142845704486E+04 0.17283E-05 -0.71041E-06 552 0.584E-03
162 F= -.14284570E+04 E0= -.14284723E+04 d E =-.418462E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845705265E+04 -0.60533E-05 -0.62466E-02 896 0.411E-01 0.541E-02
DAV: 2 -0.142845715320E+04 -0.10055E-03 -0.12880E-03 1008 0.528E-02 0.352E-02
DAV: 3 -0.142845714630E+04 0.68967E-05 -0.31948E-05 920 0.109E-02
163 F= -.14284571E+04 E0= -.14284724E+04 d E =-.519900E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845672089E+04 0.43231E-03 -0.25015E-01 896 0.823E-01 0.108E-01
DAV: 2 -0.142845712252E+04 -0.40164E-03 -0.51513E-03 968 0.106E-01 0.705E-02
DAV: 3 -0.142845709473E+04 0.27796E-04 -0.13333E-04 1080 0.219E-02 0.403E-02
DAV: 4 -0.142845709583E+04 -0.10979E-05 -0.60673E-05 1016 0.156E-02
164 F= -.14284571E+04 E0= -.14284723E+04 d E =-.469423E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845696866E+04 0.12607E-03 -0.13344E-01 896 0.601E-01 0.754E-02
DAV: 2 -0.142845718545E+04 -0.21679E-03 -0.27917E-03 968 0.777E-02 0.504E-02
DAV: 3 -0.142845716779E+04 0.17655E-04 -0.69375E-05 1056 0.157E-02 0.288E-02
DAV: 4 -0.142845716653E+04 0.12637E-05 -0.30627E-05 816 0.111E-02
165 F= -.14284572E+04 E0= -.14284724E+04 d E =-.540126E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845730306E+04 -0.13527E-03 -0.88057E-02 896 0.488E-01 0.604E-02
DAV: 2 -0.142845744625E+04 -0.14318E-03 -0.18071E-03 952 0.621E-02 0.401E-02
DAV: 3 -0.142845743547E+04 0.10775E-04 -0.38512E-05 944 0.122E-02 0.230E-02
DAV: 4 -0.142845743520E+04 0.27454E-06 -0.22084E-05 696 0.938E-03
166 F= -.14284574E+04 E0= -.14284727E+04 d E =-.268669E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845736647E+04 0.68999E-04 -0.27295E-01 896 0.858E-01 0.110E-01
DAV: 2 -0.142845782016E+04 -0.45368E-03 -0.56436E-03 952 0.110E-01 0.714E-02
DAV: 3 -0.142845779059E+04 0.29562E-04 -0.12322E-04 1080 0.222E-02 0.414E-02
DAV: 4 -0.142845779223E+04 -0.16404E-05 -0.69304E-05 1016 0.164E-02
167 F= -.14284578E+04 E0= -.14284731E+04 d E =-.625706E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845635298E+04 0.14376E-02 -0.10917E+00 896 0.172E+00 0.219E-01
DAV: 2 -0.142845816503E+04 -0.18121E-02 -0.22556E-02 952 0.219E-01 0.143E-01
DAV: 3 -0.142845804555E+04 0.11947E-03 -0.49174E-04 1080 0.443E-02 0.829E-02
DAV: 4 -0.142845805163E+04 -0.60726E-05 -0.27883E-04 1032 0.329E-02 0.212E-02
DAV: 5 -0.142845805193E+04 -0.30658E-06 -0.50618E-05 936 0.148E-02
168 F= -.14284581E+04 E0= -.14284733E+04 d E =-.885404E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845815462E+04 -0.10299E-03 -0.13154E-01 896 0.594E-01 0.767E-02
DAV: 2 -0.142845838206E+04 -0.22744E-03 -0.27653E-03 960 0.763E-02 0.497E-02
DAV: 3 -0.142845836841E+04 0.13648E-04 -0.56956E-05 1056 0.155E-02 0.290E-02
DAV: 4 -0.142845836980E+04 -0.13924E-05 -0.35069E-05 912 0.116E-02
169 F= -.14284584E+04 E0= -.14284736E+04 d E =-.317871E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845786539E+04 0.50303E-03 -0.61182E-01 896 0.128E+00 0.164E-01
DAV: 2 -0.142845888746E+04 -0.10221E-02 -0.12747E-02 960 0.164E-01 0.108E-01
DAV: 3 -0.142845881679E+04 0.70672E-04 -0.27586E-04 1088 0.336E-02 0.628E-02
DAV: 4 -0.142845881989E+04 -0.31000E-05 -0.16955E-04 1032 0.255E-02 0.164E-02
DAV: 5 -0.142845881953E+04 0.35936E-06 -0.29088E-05 728 0.116E-02
170 F= -.14284588E+04 E0= -.14284741E+04 d E =-.767593E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845498930E+04 0.38306E-02 -0.24436E+00 896 0.256E+00 0.327E-01
DAV: 2 -0.142845907311E+04 -0.40838E-02 -0.50822E-02 960 0.328E-01 0.214E-01
DAV: 3 -0.142845878843E+04 0.28468E-03 -0.10928E-03 1088 0.666E-02 0.125E-01
DAV: 4 -0.142845879651E+04 -0.80842E-05 -0.66191E-04 1032 0.503E-02 0.320E-02
DAV: 5 -0.142845879630E+04 0.21369E-06 -0.12194E-04 1040 0.229E-02 0.164E-02
DAV: 6 -0.142845879619E+04 0.10600E-06 -0.26963E-05 808 0.910E-03
171 F= -.14284588E+04 E0= -.14284741E+04 d E =-.744261E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845771433E+04 0.10820E-02 -0.82227E-01 896 0.149E+00 0.188E-01
DAV: 2 -0.142845905996E+04 -0.13456E-02 -0.17020E-02 960 0.190E-01 0.124E-01
DAV: 3 -0.142845895750E+04 0.10246E-03 -0.37487E-04 1088 0.388E-02 0.724E-02
DAV: 4 -0.142845895734E+04 0.16564E-06 -0.22788E-04 1024 0.294E-02 0.188E-02
DAV: 5 -0.142845895744E+04 -0.97119E-07 -0.40472E-05 840 0.134E-02
172 F= -.14284590E+04 E0= -.14284742E+04 d E =-.905503E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845910817E+04 -0.15083E-03 -0.29088E-01 896 0.884E-01 0.111E-01
DAV: 2 -0.142845957594E+04 -0.46778E-03 -0.59728E-03 960 0.113E-01 0.744E-02
DAV: 3 -0.142845953819E+04 0.37756E-04 -0.13682E-04 1080 0.231E-02 0.431E-02
DAV: 4 -0.142845953690E+04 0.12841E-05 -0.77448E-05 1016 0.172E-02
173 F= -.14284595E+04 E0= -.14284748E+04 d E =-.579467E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845964225E+04 -0.10407E-03 -0.67970E-02 896 0.427E-01 0.563E-02
DAV: 2 -0.142845975779E+04 -0.11553E-03 -0.14226E-03 968 0.552E-02 0.366E-02
DAV: 3 -0.142845975010E+04 0.76803E-05 -0.29872E-05 904 0.116E-02
174 F= -.14284598E+04 E0= -.14284750E+04 d E =-.792669E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845965025E+04 0.10754E-03 -0.26775E-01 896 0.848E-01 0.110E-01
DAV: 2 -0.142846007726E+04 -0.42702E-03 -0.54120E-03 960 0.108E-01 0.724E-02
DAV: 3 -0.142846004771E+04 0.29549E-04 -0.12663E-04 1088 0.222E-02 0.416E-02
DAV: 4 -0.142846004962E+04 -0.19077E-05 -0.69890E-05 1016 0.164E-02
175 F= -.14284600E+04 E0= -.14284752E+04 d E =-.109219E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142846006047E+04 -0.12752E-04 -0.31053E-02 896 0.289E-01 0.385E-02
DAV: 2 -0.142846011444E+04 -0.53969E-04 -0.65758E-04 976 0.375E-02 0.248E-02
DAV: 3 -0.142846011090E+04 0.35349E-05 -0.12431E-05 688 0.804E-03
176 F= -.14284601E+04 E0= -.14284753E+04 d E =-.115346E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845999417E+04 0.12027E-03 -0.12170E-01 896 0.572E-01 0.742E-02
DAV: 2 -0.142846018886E+04 -0.19469E-03 -0.24648E-03 968 0.726E-02 0.487E-02
DAV: 3 -0.142846017556E+04 0.13300E-04 -0.57083E-05 1056 0.149E-02 0.280E-02
DAV: 4 -0.142846017637E+04 -0.81252E-06 -0.31725E-05 840 0.112E-02
177 F= -.14284602E+04 E0= -.14284753E+04 d E =-.121894E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142846013213E+04 0.43434E-04 -0.48599E-01 896 0.114E+00 0.146E-01
DAV: 2 -0.142846093582E+04 -0.80369E-03 -0.10050E-02 952 0.146E-01 0.957E-02
DAV: 3 -0.142846088019E+04 0.55633E-04 -0.22313E-04 1088 0.297E-02 0.558E-02
DAV: 4 -0.142846088260E+04 -0.24176E-05 -0.12476E-04 1032 0.218E-02 0.145E-02
DAV: 5 -0.142846088261E+04 -0.71086E-08 -0.21752E-05 704 0.100E-02
178 F= -.14284609E+04 E0= -.14284760E+04 d E =-.706237E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845483156E+04 0.60510E-02 -0.43658E+00 896 0.342E+00 0.435E-01
DAV: 2 -0.142846204137E+04 -0.72098E-02 -0.90159E-02 952 0.437E-01 0.286E-01
DAV: 3 -0.142846153392E+04 0.50746E-03 -0.19947E-03 1088 0.882E-02 0.167E-01
DAV: 4 -0.142846154260E+04 -0.86831E-05 -0.10996E-03 1032 0.646E-02 0.425E-02
DAV: 5 -0.142846154486E+04 -0.22627E-05 -0.20708E-04 1032 0.297E-02 0.210E-02
DAV: 6 -0.142846154460E+04 0.26004E-06 -0.42338E-05 912 0.114E-02
179 F= -.14284615E+04 E0= -.14284766E+04 d E =-.136823E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142846122096E+04 0.32390E-03 -0.25102E-01 896 0.821E-01 0.103E-01
DAV: 2 -0.142846162107E+04 -0.40011E-03 -0.51370E-03 944 0.105E-01 0.688E-02
DAV: 3 -0.142846158816E+04 0.32906E-04 -0.11787E-04 1088 0.214E-02 0.399E-02
DAV: 4 -0.142846158709E+04 0.10701E-05 -0.65888E-05 1016 0.157E-02
180 F= -.14284616E+04 E0= -.14284766E+04 d E =-.141072E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142846148568E+04 0.10249E-03 -0.65151E-02 896 0.419E-01 0.514E-02
DAV: 2 -0.142846158951E+04 -0.10383E-03 -0.13328E-03 944 0.532E-02 0.346E-02
DAV: 3 -0.142846158089E+04 0.86213E-05 -0.28832E-05 904 0.104E-02
181 F= -.14284616E+04 E0= -.14284766E+04 d E =-.140451E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142846140492E+04 0.18458E-03 -0.49612E-01 896 0.115E+00 0.149E-01
DAV: 2 -0.142846219845E+04 -0.79353E-03 -0.10051E-02 944 0.146E-01 0.977E-02
DAV: 3 -0.142846214355E+04 0.54905E-04 -0.22315E-04 1088 0.298E-02 0.566E-02
DAV: 4 -0.142846214757E+04 -0.40192E-05 -0.13123E-04 1032 0.223E-02 0.146E-02
DAV: 5 -0.142846214710E+04 0.46469E-06 -0.22243E-05 696 0.103E-02
182 F= -.14284621E+04 E0= -.14284772E+04 d E =-.566217E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845870484E+04 0.34427E-02 -0.26823E+00 896 0.268E+00 0.341E-01
DAV: 2 -0.142846313589E+04 -0.44311E-02 -0.55361E-02 944 0.342E-01 0.225E-01
DAV: 3 -0.142846282517E+04 0.31073E-03 -0.11827E-03 1080 0.693E-02 0.132E-01
DAV: 4 -0.142846283408E+04 -0.89084E-05 -0.71360E-04 1032 0.519E-02 0.337E-02
DAV: 5 -0.142846283358E+04 0.49223E-06 -0.13118E-04 1032 0.238E-02 0.173E-02
DAV: 6 -0.142846283333E+04 0.25421E-06 -0.30162E-05 840 0.961E-03
183 F= -.14284628E+04 E0= -.14284778E+04 d E =-.125244E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142846323380E+04 -0.40022E-03 -0.19587E-01 896 0.731E-01 0.943E-02
DAV: 2 -0.142846356562E+04 -0.33182E-03 -0.41493E-03 1000 0.948E-02 0.616E-02
DAV: 3 -0.142846354329E+04 0.22331E-04 -0.10399E-04 1088 0.197E-02 0.355E-02
DAV: 4 -0.142846354372E+04 -0.42794E-06 -0.48961E-05 984 0.139E-02
184 F= -.14284635E+04 E0= -.14284785E+04 d E =-.710393E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142846367941E+04 -0.13612E-03 -0.54614E-02 896 0.385E-01 0.509E-02
DAV: 2 -0.142846377231E+04 -0.92901E-04 -0.11624E-03 1008 0.503E-02 0.329E-02
DAV: 3 -0.142846376590E+04 0.64134E-05 -0.27117E-05 856 0.108E-02
185 F= -.14284638E+04 E0= -.14284787E+04 d E =-.932570E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142846357899E+04 0.19332E-03 -0.21553E-01 896 0.766E-01 0.100E-01
DAV: 2 -0.142846392439E+04 -0.34540E-03 -0.44460E-03 1008 0.984E-02 0.656E-02
DAV: 3 -0.142846389941E+04 0.24976E-04 -0.11954E-04 1088 0.210E-02 0.374E-02
DAV: 4 -0.142846390002E+04 -0.60231E-06 -0.55313E-05 992 0.147E-02
186 F= -.14284639E+04 E0= -.14284789E+04 d E =-.106669E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142846387079E+04 0.28627E-04 -0.22262E-02 896 0.247E-01 0.301E-02
DAV: 2 -0.142846390581E+04 -0.35024E-04 -0.46480E-04 992 0.318E-02 0.207E-02
DAV: 3 -0.142846390216E+04 0.36533E-05 -0.10943E-05 600 0.663E-03
187 F= -.14284639E+04 E0= -.14284789E+04 d E =-.106883E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142846417850E+04 -0.27269E-03 -0.12848E-01 896 0.595E-01 0.742E-02
DAV: 2 -0.142846439513E+04 -0.21663E-03 -0.27415E-03 1008 0.774E-02 0.496E-02
DAV: 3 -0.142846437775E+04 0.17379E-04 -0.69854E-05 1080 0.163E-02 0.289E-02
DAV: 4 -0.142846437624E+04 0.15105E-05 -0.32356E-05 856 0.114E-02
188 F= -.14284644E+04 E0= -.14284794E+04 d E =-.474083E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142846441157E+04 -0.33816E-04 -0.79972E-02 896 0.469E-01 0.610E-02
DAV: 2 -0.142846454526E+04 -0.13369E-03 -0.16846E-03 1008 0.607E-02 0.398E-02
DAV: 3 -0.142846453547E+04 0.97872E-05 -0.42451E-05 968 0.131E-02
189 F= -.14284645E+04 E0= -.14284795E+04 d E =-.633311E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142846453116E+04 0.14099E-04 -0.11189E-02 896 0.176E-01 0.263E-02
DAV: 2 -0.142846454618E+04 -0.15027E-04 -0.21068E-04 1032 0.218E-02 0.166E-02
DAV: 3 -0.142846454528E+04 0.90072E-06 -0.70618E-06 536 0.531E-03
190 F= -.14284645E+04 E0= -.14284796E+04 d E =-.643126E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142846469239E+04 -0.14621E-03 -0.97986E-02 896 0.519E-01 0.670E-02
DAV: 2 -0.142846485042E+04 -0.15802E-03 -0.20208E-03 1024 0.670E-02 0.442E-02
DAV: 3 -0.142846483854E+04 0.11883E-04 -0.52475E-05 1024 0.142E-02 0.257E-02
DAV: 4 -0.142846483813E+04 0.40851E-06 -0.25391E-05 744 0.103E-02
191 F= -.14284648E+04 E0= -.14284798E+04 d E =-.292845E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142846484941E+04 -0.10873E-04 -0.26803E-02 896 0.271E-01 0.360E-02
DAV: 2 -0.142846489435E+04 -0.44941E-04 -0.56440E-04 1032 0.355E-02 0.234E-02
DAV: 3 -0.142846489120E+04 0.31527E-05 -0.12672E-05 624 0.768E-03
192 F= -.14284649E+04 E0= -.14284799E+04 d E =-.345914E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142846507280E+04 -0.17845E-03 -0.37067E-02 896 0.321E-01 0.437E-02
DAV: 2 -0.142846513369E+04 -0.60895E-04 -0.79574E-04 1064 0.430E-02 0.286E-02
DAV: 3 -0.142846512786E+04 0.58322E-05 -0.24809E-05 776 0.990E-03
193 F= -.14284651E+04 E0= -.14284801E+04 d E =-.236665E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142846514772E+04 -0.14024E-04 -0.22537E-02 896 0.250E-01 0.357E-02
DAV: 2 -0.142846518277E+04 -0.35054E-04 -0.46721E-04 1064 0.329E-02 0.231E-02
DAV: 3 -0.142846517937E+04 0.34009E-05 -0.14664E-05 648 0.775E-03
194 F= -.14284652E+04 E0= -.14284801E+04 d E =-.288174E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142846528627E+04 -0.10350E-03 -0.43007E-02 896 0.344E-01 0.461E-02
DAV: 2 -0.142846535570E+04 -0.69433E-04 -0.89848E-04 1040 0.447E-02 0.302E-02
DAV: 3 -0.142846534915E+04 0.65549E-05 -0.22975E-05 768 0.999E-03
195 F= -.14284653E+04 E0= -.14284803E+04 d E =-.169776E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142846535270E+04 0.30066E-05 -0.10765E-02 896 0.172E-01 0.248E-02
DAV: 2 -0.142846536854E+04 -0.15846E-04 -0.21090E-04 1048 0.217E-02 0.158E-02
DAV: 3 -0.142846536721E+04 0.13308E-05 -0.56837E-06 552 0.499E-03
196 F= -.14284654E+04 E0= -.14284803E+04 d E =-.187840E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142846548064E+04 -0.11210E-03 -0.33205E-02 896 0.304E-01 0.390E-02
DAV: 2 -0.142846553442E+04 -0.53781E-04 -0.69001E-04 1048 0.393E-02 0.259E-02
DAV: 3 -0.142846552953E+04 0.48892E-05 -0.16104E-05 680 0.842E-03
197 F= -.14284655E+04 E0= -.14284805E+04 d E =-.162320E-03