./Stage_1/0.005_-e3 OSZICAR.out output for 742: XXX MT amorphous(poly(oxydiphenylene_pyromellitide)) from job 738
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 0.63784E-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 0.10454E-04 -0.25060E-05 800 0.116E-02 0.769E-03
DAV: 9 -0.142824229965E+04 0.43671E-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 -0.33604E-04 -0.17061E-03 1032 0.782E-02 0.666E-02
DAV: 6 -0.142839665145E+04 0.95865E-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 0.30383E-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 -0.70324E-05 -0.55435E-04 1064 0.471E-02 0.459E-02
DAV: 6 -0.142840960256E+04 0.46615E-05 -0.14748E-04 1016 0.216E-02 0.236E-02
DAV: 7 -0.142840959661E+04 0.59490E-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 0.18476E-04 -0.31067E-04 1016 0.315E-02 0.257E-02
DAV: 5 -0.142841179533E+04 -0.14607E-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 -0.142841068693E+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 0.39232E-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 -0.16325E-05 -0.84751E-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 -0.142841996328E+04 -0.75159E-03 -0.10106E-02 1056 0.153E-01 0.927E-02
DAV: 3 -0.142841988626E+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 -0.142841986276E+04 0.11025E-05 -0.22210E-05 712 0.104E-02
8 F= -.14284199E+04 E0= -.14284357E+04 d E =-.215198E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841987242E+04 -0.85506E-05 -0.19068E-03 912 0.748E-02 0.104E-02
DAV: 2 -0.142841987509E+04 -0.26702E-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 0.49443E-04 -0.25982E-04 1072 0.310E-02 0.519E-02
DAV: 4 -0.142842172066E+04 0.13249E-04 -0.10714E-04 1000 0.196E-02 0.169E-02
DAV: 5 -0.142842172072E+04 -0.58957E-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 -0.25797E-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 0.15335E-05 -0.62556E-06 528 0.541E-03
11 F= -.14284218E+04 E0= -.14284375E+04 d E =-.189005E-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 0.50478E-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 0.23590E-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 0.16408E-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 -0.142842442718E+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 0.69508E-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 0.45924E-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 -0.54586E-04 -0.33015E-02 896 0.304E-01 0.435E-02
DAV: 2 -0.142842556481E+04 -0.55254E-04 -0.73915E-04 1032 0.407E-02 0.250E-02
DAV: 3 -0.142842556215E+04 0.26531E-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 -0.29233E-06 -0.36958E-05 872 0.129E-02
18 F= -.14284264E+04 E0= -.14284421E+04 d E =-.798393E-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 =-.115405E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842728749E+04 -0.57113E-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 -0.47525E-06 -0.52560E-05 960 0.150E-02
20 F= -.14284276E+04 E0= -.14284432E+04 d E =-.839688E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842769732E+04 -0.14190E-03 -0.39519E-02 896 0.331E-01 0.471E-02
DAV: 2 -0.142842776401E+04 -0.66694E-04 -0.87508E-04 1024 0.441E-02 0.280E-02
DAV: 3 -0.142842775976E+04 0.42556E-05 -0.23589E-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 0.22083E-03 -0.15640E-01 896 0.659E-01 0.910E-02
DAV: 2 -0.142842779646E+04 -0.25328E-03 -0.33301E-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 -0.142842778092E+04 -0.52269E-06 -0.45665E-05 936 0.141E-02
22 F= -.14284278E+04 E0= -.14284434E+04 d E =-.106471E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842777192E+04 0.84697E-05 -0.40644E-02 896 0.336E-01 0.427E-02
DAV: 2 -0.142842784037E+04 -0.68443E-04 -0.87252E-04 1016 0.438E-02 0.272E-02
DAV: 3 -0.142842783499E+04 0.53746E-05 -0.23849E-05 736 0.963E-03
23 F= -.14284278E+04 E0= -.14284434E+04 d E =-.111879E-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 =-.648771E-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 -0.142842889210E+04 0.27247E-04 -0.13460E-04 1072 0.242E-02 0.419E-02
DAV: 4 -0.142842889208E+04 0.20278E-07 -0.82104E-05 992 0.180E-02
25 F= -.14284289E+04 E0= -.14284445E+04 d E =-.105709E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842944037E+04 -0.54827E-03 -0.95792E-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 0.12361E-04 -0.63322E-05 1064 0.161E-02 0.267E-02
DAV: 4 -0.142842958055E+04 0.29976E-06 -0.33230E-05 816 0.117E-02
26 F= -.14284296E+04 E0= -.14284452E+04 d E =-.688468E-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 0.22015E-04 -0.11400E-04 1064 0.213E-02 0.357E-02
DAV: 4 -0.142842993576E+04 0.10713E-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 0.11294E-04 -0.52107E-05 1016 0.153E-02 0.260E-02
DAV: 4 -0.142843047182E+04 0.26383E-06 -0.32591E-05 832 0.112E-02
28 F= -.14284305E+04 E0= -.14284461E+04 d E =-.536054E-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 -0.47606E-03 -0.62311E-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 0.17847E-05 -0.97957E-05 1000 0.196E-02
29 F= -.14284309E+04 E0= -.14284464E+04 d E =-.926649E-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 -0.142843152857E+04 -0.24075E-03 -0.31866E-03 1040 0.849E-02 0.561E-02
DAV: 3 -0.142843150988E+04 0.18690E-04 -0.87539E-05 1080 0.197E-02 0.338E-02
DAV: 4 -0.142843150897E+04 0.90883E-06 -0.52889E-05 936 0.144E-02
30 F= -.14284315E+04 E0= -.14284471E+04 d E =-.646557E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843162556E+04 -0.11568E-03 -0.31228E-02 896 0.295E-01 0.419E-02
DAV: 2 -0.142843167606E+04 -0.50498E-04 -0.67477E-04 1040 0.392E-02 0.260E-02
DAV: 3 -0.142843167202E+04 0.40364E-05 -0.16977E-05 680 0.921E-03
31 F= -.14284317E+04 E0= -.14284473E+04 d E =-.809610E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843157895E+04 0.97102E-04 -0.12342E-01 896 0.587E-01 0.807E-02
DAV: 2 -0.142843176679E+04 -0.18784E-03 -0.25257E-03 1040 0.755E-02 0.512E-02
DAV: 3 -0.142843175203E+04 0.14764E-04 -0.70958E-05 1080 0.172E-02 0.301E-02
DAV: 4 -0.142843175119E+04 0.83364E-06 -0.38821E-05 888 0.125E-02
32 F= -.14284318E+04 E0= -.14284474E+04 d E =-.888783E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843205550E+04 -0.30347E-03 -0.15345E-01 896 0.652E-01 0.882E-02
DAV: 2 -0.142843229985E+04 -0.24435E-03 -0.31840E-03 1032 0.846E-02 0.551E-02
DAV: 3 -0.142843228102E+04 0.18830E-04 -0.81066E-05 1072 0.190E-02 0.331E-02
DAV: 4 -0.142843228054E+04 0.47799E-06 -0.49669E-05 928 0.141E-02
33 F= -.14284323E+04 E0= -.14284479E+04 d E =-.529351E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843239672E+04 -0.11569E-03 -0.38691E-02 896 0.327E-01 0.461E-02
DAV: 2 -0.142843245835E+04 -0.61638E-04 -0.81515E-04 1040 0.430E-02 0.282E-02
DAV: 3 -0.142843245352E+04 0.48335E-05 -0.19357E-05 712 0.991E-03
34 F= -.14284325E+04 E0= -.14284481E+04 d E =-.702328E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843240440E+04 0.53956E-04 -0.15290E-01 896 0.651E-01 0.892E-02
DAV: 2 -0.142843263535E+04 -0.23095E-03 -0.30725E-03 1040 0.830E-02 0.558E-02
DAV: 3 -0.142843261755E+04 0.17799E-04 -0.81579E-05 1064 0.186E-02 0.326E-02
DAV: 4 -0.142843261736E+04 0.18841E-06 -0.45904E-05 912 0.137E-02
35 F= -.14284326E+04 E0= -.14284483E+04 d E =-.866168E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843307501E+04 -0.45746E-03 -0.85103E-02 896 0.489E-01 0.679E-02
DAV: 2 -0.142843321337E+04 -0.13836E-03 -0.18647E-03 1040 0.658E-02 0.443E-02
DAV: 3 -0.142843319839E+04 0.14976E-04 -0.54395E-05 1024 0.159E-02 0.268E-02
DAV: 4 -0.142843319664E+04 0.17564E-05 -0.38245E-05 872 0.120E-02
36 F= -.14284332E+04 E0= -.14284489E+04 d E =-.579274E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843326052E+04 -0.62130E-04 -0.33350E-02 896 0.306E-01 0.436E-02
DAV: 2 -0.142843331525E+04 -0.54725E-04 -0.73783E-04 1048 0.414E-02 0.281E-02
DAV: 3 -0.142843330923E+04 0.60137E-05 -0.19293E-05 688 0.100E-02
37 F= -.14284333E+04 E0= -.14284490E+04 d E =-.691871E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843365233E+04 -0.33709E-03 -0.51090E-02 896 0.383E-01 0.521E-02
DAV: 2 -0.142843373101E+04 -0.78677E-04 -0.10489E-03 1048 0.492E-02 0.342E-02
DAV: 3 -0.142843372347E+04 0.75416E-05 -0.31317E-05 808 0.119E-02
38 F= -.14284337E+04 E0= -.14284494E+04 d E =-.414237E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843378315E+04 -0.52137E-04 -0.83941E-02 896 0.490E-01 0.674E-02
DAV: 2 -0.142843391054E+04 -0.12739E-03 -0.17004E-03 1048 0.626E-02 0.445E-02
DAV: 3 -0.142843389806E+04 0.12474E-04 -0.52504E-05 984 0.153E-02 0.263E-02
DAV: 4 -0.142843389731E+04 0.75839E-06 -0.29978E-05 800 0.114E-02
39 F= -.14284339E+04 E0= -.14284496E+04 d E =-.588073E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843414549E+04 -0.24742E-03 -0.31964E-02 896 0.300E-01 0.404E-02
DAV: 2 -0.142843419541E+04 -0.49926E-04 -0.65513E-04 1016 0.388E-02 0.258E-02
DAV: 3 -0.142843419162E+04 0.37930E-05 -0.16579E-05 640 0.896E-03
40 F= -.14284342E+04 E0= -.14284499E+04 d E =-.294313E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843413604E+04 0.59373E-04 -0.28596E-01 896 0.898E-01 0.118E-01
DAV: 2 -0.142843456372E+04 -0.42768E-03 -0.56516E-03 1016 0.113E-01 0.767E-02
DAV: 3 -0.142843452964E+04 0.34078E-04 -0.16063E-04 1056 0.257E-02 0.450E-02
DAV: 4 -0.142843452935E+04 0.28958E-06 -0.92595E-05 1016 0.192E-02
41 F= -.14284345E+04 E0= -.14284503E+04 d E =-.632042E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843481297E+04 -0.28333E-03 -0.68141E-02 896 0.438E-01 0.611E-02
DAV: 2 -0.142843492491E+04 -0.11194E-03 -0.14808E-03 1032 0.585E-02 0.382E-02
DAV: 3 -0.142843491722E+04 0.76949E-05 -0.44686E-05 944 0.135E-02
42 F= -.14284349E+04 E0= -.14284507E+04 d E =-.387870E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843482007E+04 0.10485E-03 -0.17863E-01 896 0.710E-01 0.992E-02
DAV: 2 -0.142843509452E+04 -0.27446E-03 -0.37084E-03 1032 0.922E-02 0.626E-02
DAV: 3 -0.142843507428E+04 0.20248E-04 -0.11787E-04 1064 0.208E-02 0.361E-02
DAV: 4 -0.142843507402E+04 0.25279E-06 -0.51308E-05 992 0.149E-02
43 F= -.14284351E+04 E0= -.14284508E+04 d E =-.544675E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843506539E+04 0.88820E-05 -0.17243E-02 896 0.221E-01 0.277E-02
DAV: 2 -0.142843509221E+04 -0.26819E-04 -0.36065E-04 1016 0.286E-02 0.185E-02
DAV: 3 -0.142843508928E+04 0.29311E-05 -0.90534E-06 520 0.613E-03
44 F= -.14284351E+04 E0= -.14284508E+04 d E =-.559934E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843539740E+04 -0.30519E-03 -0.56986E-02 896 0.404E-01 0.533E-02
DAV: 2 -0.142843549941E+04 -0.10200E-03 -0.13069E-03 1024 0.549E-02 0.341E-02
DAV: 3 -0.142843549095E+04 0.84612E-05 -0.36906E-05 864 0.126E-02
45 F= -.14284355E+04 E0= -.14284513E+04 d E =-.401665E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843553236E+04 -0.32952E-04 -0.77433E-02 896 0.471E-01 0.675E-02
DAV: 2 -0.142843565716E+04 -0.12480E-03 -0.16788E-03 1032 0.621E-02 0.426E-02
DAV: 3 -0.142843564708E+04 0.10078E-04 -0.54583E-05 1024 0.148E-02 0.247E-02
DAV: 4 -0.142843564637E+04 0.71082E-06 -0.22293E-05 648 0.103E-02
46 F= -.14284356E+04 E0= -.14284514E+04 d E =-.557088E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843587527E+04 -0.22819E-03 -0.42410E-02 896 0.347E-01 0.467E-02
DAV: 2 -0.142843594926E+04 -0.73986E-04 -0.93841E-04 1040 0.459E-02 0.288E-02
DAV: 3 -0.142843594436E+04 0.48946E-05 -0.23627E-05 752 0.103E-02
47 F= -.14284359E+04 E0= -.14284518E+04 d E =-.297992E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843584962E+04 0.99637E-04 -0.20617E-01 896 0.766E-01 0.102E-01
DAV: 2 -0.142843619524E+04 -0.34562E-03 -0.44315E-03 1032 0.995E-02 0.640E-02
DAV: 3 -0.142843617172E+04 0.23523E-04 -0.12084E-04 1056 0.220E-02 0.375E-02
DAV: 4 -0.142843617143E+04 0.29178E-06 -0.62436E-05 984 0.159E-02
48 F= -.14284362E+04 E0= -.14284520E+04 d E =-.525059E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843615769E+04 0.14026E-04 -0.10282E-02 896 0.171E-01 0.205E-02
DAV: 2 -0.142843617443E+04 -0.16735E-04 -0.21974E-04 1016 0.222E-02 0.138E-02
DAV: 3 -0.142843617271E+04 0.17175E-05 -0.52745E-06 496 0.469E-03
49 F= -.14284362E+04 E0= -.14284520E+04 d E =-.526342E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843641173E+04 -0.23730E-03 -0.29701E-02 896 0.291E-01 0.373E-02
DAV: 2 -0.142843646291E+04 -0.51175E-04 -0.66209E-04 1008 0.391E-02 0.236E-02
DAV: 3 -0.142843645833E+04 0.45797E-05 -0.16774E-05 664 0.864E-03
50 F= -.14284365E+04 E0= -.14284523E+04 d E =-.285615E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843651436E+04 -0.51457E-04 -0.84574E-02 896 0.492E-01 0.661E-02
DAV: 2 -0.142843664935E+04 -0.13499E-03 -0.17931E-03 1032 0.644E-02 0.412E-02
DAV: 3 -0.142843663858E+04 0.10772E-04 -0.54612E-05 1016 0.146E-02 0.239E-02
DAV: 4 -0.142843663777E+04 0.80605E-06 -0.24782E-05 656 0.105E-02
51 F= -.14284366E+04 E0= -.14284525E+04 d E =-.465061E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843682100E+04 -0.18242E-03 -0.37672E-02 896 0.327E-01 0.444E-02
DAV: 2 -0.142843688455E+04 -0.63547E-04 -0.83844E-04 1016 0.439E-02 0.285E-02
DAV: 3 -0.142843687906E+04 0.54872E-05 -0.21799E-05 720 0.102E-02
52 F= -.14284369E+04 E0= -.14284527E+04 d E =-.241288E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843684037E+04 0.44177E-04 -0.10551E-01 896 0.548E-01 0.748E-02
DAV: 2 -0.142843700661E+04 -0.16624E-03 -0.22461E-03 1016 0.719E-02 0.481E-02
DAV: 3 -0.142843699294E+04 0.13669E-04 -0.68297E-05 1072 0.168E-02 0.285E-02
DAV: 4 -0.142843699248E+04 0.45827E-06 -0.38750E-05 872 0.125E-02
53 F= -.14284370E+04 E0= -.14284528E+04 d E =-.354710E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843698749E+04 0.54531E-05 -0.72513E-03 896 0.144E-01 0.177E-02
DAV: 2 -0.142843699913E+04 -0.11645E-04 -0.15339E-04 992 0.187E-02 0.121E-02
DAV: 3 -0.142843699787E+04 0.12591E-05 -0.41723E-06 496 0.429E-03
54 F= -.14284370E+04 E0= -.14284528E+04 d E =-.360102E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843721054E+04 -0.21141E-03 -0.58966E-02 896 0.410E-01 0.534E-02
DAV: 2 -0.142843731612E+04 -0.10558E-03 -0.13449E-03 1040 0.552E-02 0.336E-02
DAV: 3 -0.142843730775E+04 0.83691E-05 -0.33081E-05 832 0.119E-02
55 F= -.14284373E+04 E0= -.14284531E+04 d E =-.309879E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843731203E+04 0.40884E-05 -0.73700E-02 896 0.458E-01 0.642E-02
DAV: 2 -0.142843743131E+04 -0.11928E-03 -0.15943E-03 1048 0.603E-02 0.395E-02
DAV: 3 -0.142843742265E+04 0.86588E-05 -0.46925E-05 936 0.135E-02
56 F= -.14284374E+04 E0= -.14284532E+04 d E =-.424777E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843760676E+04 -0.17545E-03 -0.62082E-02 896 0.419E-01 0.571E-02
DAV: 2 -0.142843770138E+04 -0.94619E-04 -0.12578E-03 1024 0.535E-02 0.367E-02
DAV: 3 -0.142843769454E+04 0.68362E-05 -0.34772E-05 856 0.123E-02
57 F= -.14284377E+04 E0= -.14284535E+04 d E =-.271888E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843763955E+04 0.61821E-04 -0.12509E-01 896 0.595E-01 0.791E-02
DAV: 2 -0.142843783617E+04 -0.19662E-03 -0.25558E-03 1024 0.760E-02 0.511E-02
DAV: 3 -0.142843782211E+04 0.14058E-04 -0.69748E-05 1072 0.171E-02 0.300E-02
DAV: 4 -0.142843782266E+04 -0.54950E-06 -0.37761E-05 864 0.123E-02
58 F= -.14284378E+04 E0= -.14284536E+04 d E =-.400012E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843799485E+04 -0.17274E-03 -0.62931E-02 896 0.420E-01 0.558E-02
DAV: 2 -0.142843809964E+04 -0.10479E-03 -0.13354E-03 1024 0.550E-02 0.352E-02
DAV: 3 -0.142843809200E+04 0.76426E-05 -0.31335E-05 800 0.121E-02
59 F= -.14284381E+04 E0= -.14284539E+04 d E =-.269333E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843742970E+04 0.66994E-03 -0.56130E-01 896 0.125E+00 0.166E-01
DAV: 2 -0.142843832476E+04 -0.89507E-03 -0.11604E-02 1024 0.162E-01 0.105E-01
DAV: 3 -0.142843826000E+04 0.64763E-04 -0.30230E-04 1072 0.350E-02 0.612E-02
DAV: 4 -0.142843826047E+04 -0.46505E-06 -0.16456E-04 1016 0.253E-02 0.170E-02
DAV: 5 -0.142843825973E+04 0.73433E-06 -0.25652E-05 688 0.114E-02
60 F= -.14284383E+04 E0= -.14284541E+04 d E =-.437068E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843820693E+04 0.53539E-04 -0.73082E-02 896 0.453E-01 0.582E-02
DAV: 2 -0.142843832100E+04 -0.11407E-03 -0.15134E-03 1024 0.587E-02 0.375E-02
DAV: 3 -0.142843831133E+04 0.96747E-05 -0.39400E-05 888 0.127E-02
61 F= -.14284383E+04 E0= -.14284541E+04 d E =-.488661E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843851754E+04 -0.19654E-03 -0.80728E-02 896 0.475E-01 0.591E-02
DAV: 2 -0.142843865816E+04 -0.14062E-03 -0.17678E-03 1024 0.631E-02 0.387E-02
DAV: 3 -0.142843864613E+04 0.12029E-04 -0.43052E-05 944 0.138E-02 0.233E-02
DAV: 4 -0.142843864462E+04 0.15145E-05 -0.26505E-05 728 0.102E-02
62 F= -.14284386E+04 E0= -.14284544E+04 d E =-.333290E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843866886E+04 -0.22727E-04 -0.79976E-02 896 0.473E-01 0.634E-02
DAV: 2 -0.142843880172E+04 -0.13286E-03 -0.17092E-03 1024 0.624E-02 0.403E-02
DAV: 3 -0.142843879127E+04 0.10449E-04 -0.45285E-05 960 0.141E-02 0.241E-02
DAV: 4 -0.142843879129E+04 -0.22279E-07 -0.27732E-05 776 0.104E-02
63 F= -.14284388E+04 E0= -.14284546E+04 d E =-.479965E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843899139E+04 -0.20012E-03 -0.91732E-02 896 0.508E-01 0.679E-02
DAV: 2 -0.142843914685E+04 -0.15546E-03 -0.20007E-03 1040 0.677E-02 0.450E-02
DAV: 3 -0.142843913294E+04 0.13909E-04 -0.57282E-05 1048 0.160E-02 0.270E-02
DAV: 4 -0.142843913235E+04 0.58869E-06 -0.32624E-05 848 0.115E-02
64 F= -.14284391E+04 E0= -.14284549E+04 d E =-.341065E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843914872E+04 -0.15779E-04 -0.25718E-02 896 0.269E-01 0.371E-02
DAV: 2 -0.142843919304E+04 -0.44322E-04 -0.56645E-04 1040 0.361E-02 0.243E-02
DAV: 3 -0.142843918915E+04 0.38965E-05 -0.13925E-05 600 0.865E-03
65 F= -.14284392E+04 E0= -.14284550E+04 d E =-.397858E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843936645E+04 -0.17341E-03 -0.97740E-02 896 0.523E-01 0.700E-02
DAV: 2 -0.142843951958E+04 -0.15312E-03 -0.20116E-03 1024 0.675E-02 0.453E-02
DAV: 3 -0.142843950751E+04 0.12066E-04 -0.54432E-05 1032 0.151E-02 0.263E-02
DAV: 4 -0.142843950819E+04 -0.67732E-06 -0.31521E-05 808 0.113E-02
66 F= -.14284395E+04 E0= -.14284553E+04 d E =-.319039E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843953198E+04 -0.24471E-04 -0.59128E-02 896 0.407E-01 0.542E-02
DAV: 2 -0.142843963081E+04 -0.98834E-04 -0.12575E-03 1024 0.534E-02 0.350E-02
DAV: 3 -0.142843962316E+04 0.76576E-05 -0.30210E-05 800 0.121E-02
67 F= -.14284396E+04 E0= -.14284554E+04 d E =-.434009E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843916777E+04 0.46305E-03 -0.23374E-01 896 0.809E-01 0.108E-01
DAV: 2 -0.142843953331E+04 -0.36555E-03 -0.47973E-03 1016 0.104E-01 0.699E-02
DAV: 3 -0.142843950439E+04 0.28922E-04 -0.13021E-04 1080 0.234E-02 0.407E-02
DAV: 4 -0.142843950565E+04 -0.12580E-05 -0.73718E-05 992 0.172E-02
68 F= -.14284395E+04 E0= -.14284553E+04 d E =-.316503E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843943189E+04 0.72506E-04 -0.14604E-01 896 0.640E-01 0.808E-02
DAV: 2 -0.142843966000E+04 -0.22812E-03 -0.30220E-03 1016 0.825E-02 0.537E-02
DAV: 3 -0.142843963859E+04 0.21418E-04 -0.79918E-05 1064 0.181E-02 0.311E-02
DAV: 4 -0.142843963690E+04 0.16855E-05 -0.42793E-05 920 0.131E-02
69 F= -.14284396E+04 E0= -.14284555E+04 d E =-.447752E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843980879E+04 -0.17021E-03 -0.72387E-02 896 0.449E-01 0.566E-02
DAV: 2 -0.142843992083E+04 -0.11204E-03 -0.14738E-03 1000 0.578E-02 0.374E-02
DAV: 3 -0.142843991072E+04 0.10109E-04 -0.36962E-05 880 0.126E-02 0.218E-02
DAV: 4 -0.142843991022E+04 0.50226E-06 -0.24843E-05 712 0.983E-03
70 F= -.14284399E+04 E0= -.14284557E+04 d E =-.273316E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843995439E+04 -0.43670E-04 -0.88029E-02 896 0.495E-01 0.652E-02
DAV: 2 -0.142844009703E+04 -0.14264E-03 -0.18338E-03 1000 0.645E-02 0.423E-02
DAV: 3 -0.142844008594E+04 0.11093E-04 -0.46518E-05 976 0.145E-02 0.251E-02
DAV: 4 -0.142844008630E+04 -0.35889E-06 -0.30621E-05 824 0.109E-02
71 F= -.14284401E+04 E0= -.14284559E+04 d E =-.449399E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843953044E+04 0.55550E-03 -0.35150E-01 896 0.990E-01 0.129E-01
DAV: 2 -0.142844009339E+04 -0.56295E-03 -0.72781E-03 1000 0.128E-01 0.842E-02
DAV: 3 -0.142844004832E+04 0.45070E-04 -0.18881E-04 1080 0.287E-02 0.498E-02
DAV: 4 -0.142844004859E+04 -0.27532E-06 -0.11801E-04 1024 0.215E-02 0.143E-02
DAV: 5 -0.142844004792E+04 0.67282E-06 -0.18484E-05 600 0.996E-03
72 F= -.14284400E+04 E0= -.14284558E+04 d E =-.411021E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843989183E+04 0.15676E-03 -0.17147E-01 896 0.691E-01 0.892E-02
DAV: 2 -0.142844015456E+04 -0.26273E-03 -0.35065E-03 1000 0.894E-02 0.585E-02
DAV: 3 -0.142844013113E+04 0.23432E-04 -0.95004E-05 1072 0.199E-02 0.342E-02
DAV: 4 -0.142844012989E+04 0.12369E-05 -0.55850E-05 976 0.147E-02
73 F= -.14284401E+04 E0= -.14284559E+04 d E =-.492994E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844006204E+04 0.69093E-04 -0.42581E-02 896 0.345E-01 0.431E-02
DAV: 2 -0.142844012663E+04 -0.64594E-04 -0.86113E-04 992 0.442E-02 0.287E-02
DAV: 3 -0.142844012045E+04 0.61828E-05 -0.20894E-05 728 0.961E-03
74 F= -.14284401E+04 E0= -.14284559E+04 d E =-.483550E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844023654E+04 -0.10990E-03 -0.66498E-02 896 0.430E-01 0.576E-02
DAV: 2 -0.142844033633E+04 -0.99793E-04 -0.13213E-03 1008 0.546E-02 0.369E-02
DAV: 3 -0.142844032925E+04 0.70766E-05 -0.33377E-05 840 0.120E-02
75 F= -.14284403E+04 E0= -.14284561E+04 d E =-.208802E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843978322E+04 0.55311E-03 -0.60182E-01 896 0.129E+00 0.170E-01
DAV: 2 -0.142844071782E+04 -0.93460E-03 -0.12187E-02 1000 0.165E-01 0.110E-01
DAV: 3 -0.142844064914E+04 0.68682E-04 -0.31068E-04 1080 0.360E-02 0.640E-02
DAV: 4 -0.142844065241E+04 -0.32660E-05 -0.18306E-04 1008 0.266E-02 0.178E-02
DAV: 5 -0.142844065107E+04 0.13382E-05 -0.30131E-05 744 0.124E-02
76 F= -.14284407E+04 E0= -.14284564E+04 d E =-.530619E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844096470E+04 -0.31229E-03 -0.87082E-02 896 0.494E-01 0.654E-02
DAV: 2 -0.142844111167E+04 -0.14697E-03 -0.18621E-03 1024 0.646E-02 0.414E-02
DAV: 3 -0.142844110119E+04 0.10482E-04 -0.46564E-05 968 0.142E-02 0.242E-02
DAV: 4 -0.142844110154E+04 -0.34969E-06 -0.25166E-05 712 0.101E-02
77 F= -.14284411E+04 E0= -.14284568E+04 d E =-.450473E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844109149E+04 0.97064E-05 -0.22126E-01 896 0.787E-01 0.105E-01
DAV: 2 -0.142844145613E+04 -0.36465E-03 -0.47235E-03 1024 0.103E-01 0.663E-02
DAV: 3 -0.142844142838E+04 0.27750E-04 -0.12470E-04 1080 0.229E-02 0.390E-02
DAV: 4 -0.142844142872E+04 -0.33216E-06 -0.66515E-05 1008 0.162E-02
78 F= -.14284414E+04 E0= -.14284571E+04 d E =-.777647E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844169336E+04 -0.26498E-03 -0.96184E-02 896 0.521E-01 0.704E-02
DAV: 2 -0.142844185203E+04 -0.15867E-03 -0.20733E-03 1032 0.688E-02 0.465E-02
DAV: 3 -0.142844183838E+04 0.13647E-04 -0.56474E-05 1040 0.163E-02 0.281E-02
DAV: 4 -0.142844183843E+04 -0.55108E-07 -0.40091E-05 888 0.122E-02
79 F= -.14284418E+04 E0= -.14284575E+04 d E =-.409718E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844191406E+04 -0.75685E-04 -0.17715E-02 896 0.224E-01 0.307E-02
DAV: 2 -0.142844194407E+04 -0.30005E-04 -0.39058E-04 1040 0.299E-02 0.202E-02
DAV: 3 -0.142844194127E+04 0.28003E-05 -0.86546E-06 528 0.717E-03
80 F= -.14284419E+04 E0= -.14284576E+04 d E =-.512553E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844191875E+04 0.25323E-04 -0.69737E-02 896 0.444E-01 0.599E-02
DAV: 2 -0.142844202574E+04 -0.10699E-03 -0.14436E-03 1032 0.576E-02 0.393E-02
DAV: 3 -0.142844201637E+04 0.93641E-05 -0.39421E-05 904 0.134E-02
81 F= -.14284420E+04 E0= -.14284577E+04 d E =-.587659E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844219685E+04 -0.17111E-03 -0.10155E-01 896 0.533E-01 0.725E-02
DAV: 2 -0.142844235249E+04 -0.15564E-03 -0.20750E-03 1016 0.684E-02 0.454E-02
DAV: 3 -0.142844234184E+04 0.10648E-04 -0.58787E-05 1048 0.152E-02 0.260E-02
DAV: 4 -0.142844234258E+04 -0.73513E-06 -0.29227E-05 760 0.109E-02
82 F= -.14284423E+04 E0= -.14284580E+04 d E =-.326205E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844233498E+04 0.68624E-05 -0.12861E-01 896 0.599E-01 0.791E-02
DAV: 2 -0.142844254706E+04 -0.21207E-03 -0.27186E-03 1016 0.780E-02 0.499E-02
DAV: 3 -0.142844253193E+04 0.15125E-04 -0.67983E-05 1056 0.171E-02 0.293E-02
DAV: 4 -0.142844253234E+04 -0.41154E-06 -0.40048E-05 856 0.124E-02
83 F= -.14284425E+04 E0= -.14284582E+04 d E =-.515968E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844280969E+04 -0.27776E-03 -0.39244E-02 896 0.331E-01 0.463E-02
DAV: 2 -0.142844287735E+04 -0.67661E-04 -0.88513E-04 1048 0.454E-02 0.293E-02
DAV: 3 -0.142844287098E+04 0.63710E-05 -0.25666E-05 768 0.110E-02
84 F= -.14284429E+04 E0= -.14284585E+04 d E =-.338634E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844289075E+04 -0.13403E-04 -0.67485E-02 896 0.435E-01 0.624E-02
DAV: 2 -0.142844299851E+04 -0.10776E-03 -0.14562E-03 1048 0.582E-02 0.394E-02
DAV: 3 -0.142844298826E+04 0.10243E-04 -0.47352E-05 984 0.138E-02 0.228E-02
DAV: 4 -0.142844298789E+04 0.37432E-06 -0.22921E-05 712 0.960E-03
85 F= -.14284430E+04 E0= -.14284586E+04 d E =-.455546E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844298960E+04 -0.13328E-05 -0.35194E-03 896 0.995E-02 0.125E-02
DAV: 2 -0.142844299485E+04 -0.52563E-05 -0.76539E-05 984 0.133E-02
86 F= -.14284430E+04 E0= -.14284586E+04 d E =-.462510E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844318673E+04 -0.19713E-03 -0.38596E-02 896 0.330E-01 0.415E-02
DAV: 2 -0.142844325533E+04 -0.68599E-04 -0.84950E-04 1016 0.441E-02 0.265E-02
DAV: 3 -0.142844325018E+04 0.51478E-05 -0.20195E-05 704 0.975E-03
87 F= -.14284433E+04 E0= -.14284589E+04 d E =-.255327E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844327390E+04 -0.18569E-04 -0.80261E-02 896 0.475E-01 0.654E-02
DAV: 2 -0.142844340178E+04 -0.12788E-03 -0.16835E-03 1056 0.622E-02 0.419E-02
DAV: 3 -0.142844339158E+04 0.10197E-04 -0.49082E-05 992 0.144E-02 0.246E-02
DAV: 4 -0.142844339148E+04 0.10512E-06 -0.27631E-05 768 0.103E-02
88 F= -.14284434E+04 E0= -.14284590E+04 d E =-.396627E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844358258E+04 -0.19100E-03 -0.46726E-02 896 0.361E-01 0.484E-02
DAV: 2 -0.142844366487E+04 -0.82289E-04 -0.10362E-03 1048 0.481E-02 0.303E-02
DAV: 3 -0.142844365830E+04 0.65716E-05 -0.24733E-05 744 0.104E-02
89 F= -.14284437E+04 E0= -.14284593E+04 d E =-.266820E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844365148E+04 0.13386E-04 -0.60479E-02 896 0.411E-01 0.566E-02
DAV: 2 -0.142844375006E+04 -0.98578E-04 -0.12807E-03 1040 0.536E-02 0.353E-02
DAV: 3 -0.142844374250E+04 0.75607E-05 -0.36310E-05 920 0.118E-02
90 F= -.14284437E+04 E0= -.14284594E+04 d E =-.351022E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844390234E+04 -0.15228E-03 -0.35051E-02 896 0.313E-01 0.435E-02
DAV: 2 -0.142844395808E+04 -0.55742E-04 -0.72768E-04 1040 0.405E-02 0.275E-02
DAV: 3 -0.142844395383E+04 0.42566E-05 -0.18405E-05 696 0.924E-03
91 F= -.14284440E+04 E0= -.14284596E+04 d E =-.211326E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844385828E+04 0.99800E-04 -0.16453E-01 896 0.678E-01 0.902E-02
DAV: 2 -0.142844413322E+04 -0.27494E-03 -0.34924E-03 1040 0.883E-02 0.581E-02
DAV: 3 -0.142844411216E+04 0.21062E-04 -0.90119E-05 1096 0.195E-02 0.342E-02
DAV: 4 -0.142844411187E+04 0.28875E-06 -0.51554E-05 952 0.139E-02
92 F= -.14284441E+04 E0= -.14284597E+04 d E =-.369367E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844429757E+04 -0.18542E-03 -0.54871E-02 896 0.390E-01 0.529E-02
DAV: 2 -0.142844438948E+04 -0.91904E-04 -0.11878E-03 1048 0.516E-02 0.339E-02
DAV: 3 -0.142844438234E+04 0.71382E-05 -0.29903E-05 840 0.117E-02
93 F= -.14284444E+04 E0= -.14284600E+04 d E =-.270472E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844429007E+04 0.99409E-04 -0.14187E-01 896 0.627E-01 0.860E-02
DAV: 2 -0.142844451097E+04 -0.22090E-03 -0.29497E-03 1040 0.816E-02 0.549E-02
DAV: 3 -0.142844449423E+04 0.16736E-04 -0.85370E-05 1080 0.184E-02 0.317E-02
DAV: 4 -0.142844449523E+04 -0.99390E-06 -0.44383E-05 896 0.130E-02
94 F= -.14284445E+04 E0= -.14284602E+04 d E =-.383357E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844448346E+04 0.10772E-04 -0.14600E-02 896 0.202E-01 0.254E-02
DAV: 2 -0.142844450547E+04 -0.22006E-04 -0.30336E-04 1032 0.261E-02 0.170E-02
DAV: 3 -0.142844450302E+04 0.24424E-05 -0.78046E-06 528 0.568E-03
95 F= -.14284445E+04 E0= -.14284602E+04 d E =-.391155E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844475815E+04 -0.25268E-03 -0.74046E-02 896 0.454E-01 0.590E-02
DAV: 2 -0.142844488239E+04 -0.12424E-03 -0.16062E-03 1040 0.600E-02 0.379E-02
DAV: 3 -0.142844487216E+04 0.10222E-04 -0.41729E-05 968 0.132E-02 0.224E-02
DAV: 4 -0.142844487168E+04 0.48675E-06 -0.22975E-05 688 0.959E-03
96 F= -.14284449E+04 E0= -.14284605E+04 d E =-.368654E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844491604E+04 -0.43874E-04 -0.79359E-02 896 0.470E-01 0.636E-02
DAV: 2 -0.142844504813E+04 -0.13210E-03 -0.17109E-03 1048 0.621E-02 0.401E-02
DAV: 3 -0.142844503813E+04 0.10001E-04 -0.45747E-05 984 0.140E-02 0.237E-02
DAV: 4 -0.142844503840E+04 -0.26856E-06 -0.25434E-05 720 0.101E-02
97 F= -.14284450E+04 E0= -.14284607E+04 d E =-.535378E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844523944E+04 -0.20131E-03 -0.76842E-02 896 0.464E-01 0.617E-02
DAV: 2 -0.142844536540E+04 -0.12595E-03 -0.16517E-03 1040 0.611E-02 0.410E-02
DAV: 3 -0.142844535419E+04 0.11205E-04 -0.46524E-05 1000 0.144E-02 0.246E-02
DAV: 4 -0.142844535373E+04 0.46360E-06 -0.28004E-05 792 0.102E-02
98 F= -.14284454E+04 E0= -.14284610E+04 d E =-.315327E-03