./Stage_1/0.005_-e2 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 0.393389769502E+04 0.39339E+04 -0.29028E+05 896 0.111E+03
DAV: 2 -0.106039302573E+04 -0.49943E+04 -0.48087E+04 1152 0.298E+02
DAV: 3 -0.152784235100E+04 -0.46745E+03 -0.46257E+03 1032 0.967E+01
DAV: 4 -0.153965056646E+04 -0.11808E+02 -0.11758E+02 1088 0.165E+01
DAV: 5 -0.154003160534E+04 -0.38104E+00 -0.38049E+00 1112 0.277E+00 0.630E+01
DAV: 6 -0.144842149535E+04 0.91610E+02 -0.17388E+02 1008 0.197E+01 0.343E+01
DAV: 7 -0.143018961088E+04 0.18232E+02 -0.49261E+01 1056 0.114E+01 0.160E+01
DAV: 8 -0.142842804407E+04 0.17616E+01 -0.10510E+01 1048 0.496E+00 0.585E+00
DAV: 9 -0.142837386117E+04 0.54183E-01 -0.12855E+00 1048 0.237E+00 0.196E+00
DAV: 10 -0.142837151912E+04 0.23420E-02 -0.34643E-01 992 0.114E+00 0.692E-01
DAV: 11 -0.142837805296E+04 -0.65338E-02 -0.77635E-02 1016 0.491E-01 0.398E-01
DAV: 12 -0.142837896495E+04 -0.91200E-03 -0.10911E-02 1008 0.238E-01 0.231E-01
DAV: 13 -0.142837800409E+04 0.96087E-03 -0.60233E-03 968 0.211E-01 0.111E-01
DAV: 14 -0.142837634544E+04 0.16586E-02 -0.32477E-03 1080 0.153E-01 0.682E-02
DAV: 15 -0.142837582304E+04 0.52241E-03 -0.14476E-03 1040 0.872E-02 0.417E-02
DAV: 16 -0.142837565506E+04 0.16797E-03 -0.22825E-04 1088 0.379E-02 0.248E-02
DAV: 17 -0.142837558604E+04 0.69027E-04 -0.40192E-05 1000 0.254E-02 0.122E-02
DAV: 18 -0.142837555847E+04 0.27568E-04 -0.20445E-05 888 0.219E-02 0.678E-03
DAV: 19 -0.142837555020E+04 0.82696E-05 -0.33744E-05 1000 0.169E-02
1 F= -.14283756E+04 E0= -.14283925E+04 d E =-.142838E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142815178640E+04 0.22377E+00 -0.25400E+01 912 0.827E+00 0.149E+00
DAV: 2 -0.142822387602E+04 -0.72090E-01 -0.10061E+00 1072 0.139E+00 0.890E-01
DAV: 3 -0.142821225598E+04 0.11620E-01 -0.26855E-02 1040 0.318E-01 0.559E-01
DAV: 4 -0.142820873926E+04 0.35167E-02 -0.18064E-02 1032 0.257E-01 0.190E-01
DAV: 5 -0.142820881186E+04 -0.72604E-04 -0.43258E-03 1040 0.126E-01 0.822E-02
DAV: 6 -0.142820872520E+04 0.86661E-04 -0.46060E-04 1008 0.447E-02 0.437E-02
DAV: 7 -0.142820866068E+04 0.64517E-04 -0.11362E-04 1064 0.265E-02 0.250E-02
DAV: 8 -0.142820861041E+04 0.50276E-04 -0.21611E-05 848 0.226E-02 0.113E-02
DAV: 9 -0.142820857273E+04 0.37678E-04 -0.32187E-05 896 0.252E-02 0.712E-03
DAV: 10 -0.142820855262E+04 0.20112E-04 -0.38511E-05 936 0.255E-02 0.559E-03
DAV: 11 -0.142820854616E+04 0.64618E-05 -0.32217E-05 888 0.213E-02
2 F= -.14282085E+04 E0= -.14282228E+04 d E =0.167004E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142835386752E+04 -0.14531E+00 -0.16078E+01 912 0.658E+00 0.118E+00
DAV: 2 -0.142839699240E+04 -0.43125E-01 -0.59873E-01 1072 0.109E+00 0.690E-01
DAV: 3 -0.142838986268E+04 0.71297E-02 -0.17231E-02 1032 0.253E-01 0.413E-01
DAV: 4 -0.142838800928E+04 0.18534E-02 -0.10149E-02 1032 0.191E-01 0.138E-01
DAV: 5 -0.142838807688E+04 -0.67599E-04 -0.22030E-03 1040 0.851E-02 0.614E-02
DAV: 6 -0.142838804120E+04 0.35686E-04 -0.21093E-04 1040 0.293E-02 0.309E-02
DAV: 7 -0.142838801603E+04 0.25168E-04 -0.51730E-05 1064 0.172E-02 0.172E-02
DAV: 8 -0.142838799919E+04 0.16836E-04 -0.10102E-05 696 0.130E-02 0.766E-03
DAV: 9 -0.142838798550E+04 0.13696E-04 -0.11737E-05 728 0.149E-02 0.483E-03
DAV: 10 -0.142838797665E+04 0.88421E-05 -0.18418E-05 776 0.157E-02
3 F= -.14283880E+04 E0= -.14284037E+04 d E =-.124265E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142839344930E+04 -0.54638E-02 -0.47066E+00 896 0.373E+00 0.616E-01
DAV: 2 -0.142840347550E+04 -0.10026E-01 -0.13976E-01 1024 0.573E-01 0.408E-01
DAV: 3 -0.142840174121E+04 0.17343E-02 -0.48078E-03 1024 0.154E-01 0.252E-01
DAV: 4 -0.142840157922E+04 0.16198E-03 -0.43656E-03 1000 0.117E-01 0.950E-02
DAV: 5 -0.142840155910E+04 0.20118E-04 -0.51805E-04 1096 0.505E-02 0.472E-02
DAV: 6 -0.142840155032E+04 0.87888E-05 -0.14602E-04 1064 0.236E-02 0.245E-02
DAV: 7 -0.142840154173E+04 0.85827E-05 -0.20961E-05 760 0.116E-02
4 F= -.14284015E+04 E0= -.14284179E+04 d E =-.135651E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840228463E+04 -0.73431E-03 -0.22638E-01 912 0.819E-01 0.134E-01
DAV: 2 -0.142840276033E+04 -0.47570E-03 -0.64819E-03 1024 0.123E-01 0.884E-02
DAV: 3 -0.142840268190E+04 0.78428E-04 -0.22089E-04 1024 0.331E-02 0.546E-02
DAV: 4 -0.142840267733E+04 0.45773E-05 -0.20100E-04 1016 0.253E-02 0.203E-02
DAV: 5 -0.142840267685E+04 0.48207E-06 -0.24369E-05 696 0.113E-02
5 F= -.14284027E+04 E0= -.14284191E+04 d E =-.147002E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142838518663E+04 0.17491E-01 -0.45607E+00 896 0.363E+00 0.564E-01
DAV: 2 -0.142839411666E+04 -0.89300E-02 -0.13147E-01 1072 0.538E-01 0.336E-01
DAV: 3 -0.142839274999E+04 0.13667E-02 -0.38393E-03 1048 0.129E-01 0.207E-01
DAV: 4 -0.142839257136E+04 0.17863E-03 -0.29813E-03 1032 0.999E-02 0.770E-02
DAV: 5 -0.142839257732E+04 -0.59575E-05 -0.48882E-04 1024 0.447E-02 0.336E-02
DAV: 6 -0.142839257580E+04 0.15233E-05 -0.80795E-05 1016 0.158E-02
6 F= -.14283926E+04 E0= -.14284088E+04 d E =0.101010E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840401312E+04 -0.11436E-01 -0.18966E+00 896 0.234E+00 0.360E-01
DAV: 2 -0.142840768051E+04 -0.36674E-02 -0.53460E-02 1072 0.344E-01 0.214E-01
DAV: 3 -0.142840713679E+04 0.54373E-03 -0.15689E-03 1048 0.816E-02 0.132E-01
DAV: 4 -0.142840708004E+04 0.56744E-04 -0.12232E-03 1032 0.632E-02 0.485E-02
DAV: 5 -0.142840708149E+04 -0.14466E-05 -0.19040E-04 1016 0.277E-02 0.213E-02
DAV: 6 -0.142840708287E+04 -0.13778E-05 -0.30762E-05 776 0.976E-03
7 F= -.14284071E+04 E0= -.14284234E+04 d E =-.440602E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840824852E+04 -0.11670E-02 -0.48607E-01 896 0.120E+00 0.165E-01
DAV: 2 -0.142840922229E+04 -0.97377E-03 -0.12694E-02 1056 0.173E-01 0.101E-01
DAV: 3 -0.142840913867E+04 0.83616E-04 -0.47958E-04 1072 0.400E-02 0.620E-02
DAV: 4 -0.142840911848E+04 0.20194E-04 -0.16802E-04 1032 0.258E-02 0.233E-02
DAV: 5 -0.142840911654E+04 0.19404E-05 -0.30058E-05 808 0.132E-02
8 F= -.14284091E+04 E0= -.14284255E+04 d E =-.203367E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840913394E+04 -0.15460E-04 -0.49065E-03 912 0.120E-01 0.161E-02
DAV: 2 -0.142840914191E+04 -0.79702E-05 -0.12378E-04 1048 0.176E-02 0.109E-02
DAV: 3 -0.142840914068E+04 0.12321E-05 -0.56214E-06 536 0.464E-03
9 F= -.14284091E+04 E0= -.14284256E+04 d E =-.205781E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841015267E+04 -0.10108E-02 -0.29242E-01 896 0.918E-01 0.120E-01
DAV: 2 -0.142841074476E+04 -0.59210E-03 -0.73492E-03 1032 0.127E-01 0.790E-02
DAV: 3 -0.142841070151E+04 0.43255E-04 -0.22629E-04 1080 0.292E-02 0.498E-02
DAV: 4 -0.142841068904E+04 0.12463E-04 -0.10988E-04 1000 0.203E-02 0.165E-02
DAV: 5 -0.142841068895E+04 0.94704E-07 -0.18863E-05 632 0.974E-03
10 F= -.14284107E+04 E0= -.14284271E+04 d E =-.154827E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841071214E+04 -0.23101E-04 -0.11920E-02 912 0.185E-01 0.256E-02
DAV: 2 -0.142841073730E+04 -0.25156E-04 -0.30373E-04 1040 0.256E-02 0.161E-02
DAV: 3 -0.142841073550E+04 0.17999E-05 -0.70274E-06 520 0.584E-03
11 F= -.14284107E+04 E0= -.14284272E+04 d E =-.159482E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841153281E+04 -0.79551E-03 -0.28028E-01 896 0.895E-01 0.118E-01
DAV: 2 -0.142841209235E+04 -0.55954E-03 -0.67990E-03 1040 0.121E-01 0.691E-02
DAV: 3 -0.142841206639E+04 0.25960E-04 -0.19782E-04 1064 0.260E-02 0.422E-02
DAV: 4 -0.142841206448E+04 0.19156E-05 -0.66874E-05 976 0.165E-02
12 F= -.14284121E+04 E0= -.14284285E+04 d E =-.132898E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841211822E+04 -0.51827E-04 -0.15311E-02 912 0.209E-01 0.308E-02
DAV: 2 -0.142841214814E+04 -0.29916E-04 -0.37033E-04 1040 0.285E-02 0.171E-02
DAV: 3 -0.142841214660E+04 0.15387E-05 -0.93067E-06 568 0.653E-03
13 F= -.14284121E+04 E0= -.14284286E+04 d E =-.141110E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841267781E+04 -0.52968E-03 -0.95417E-02 896 0.522E-01 0.706E-02
DAV: 2 -0.142841286421E+04 -0.18640E-03 -0.23854E-03 1056 0.737E-02 0.424E-02
DAV: 3 -0.142841285101E+04 0.13196E-04 -0.75669E-05 1048 0.167E-02 0.255E-02
DAV: 4 -0.142841284887E+04 0.21418E-05 -0.31478E-05 824 0.116E-02
14 F= -.14284128E+04 E0= -.14284292E+04 d E =-.702275E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841290099E+04 -0.49976E-04 -0.19159E-02 912 0.234E-01 0.334E-02
DAV: 2 -0.142841293895E+04 -0.37963E-04 -0.48343E-04 1064 0.334E-02 0.197E-02
DAV: 3 -0.142841293603E+04 0.29220E-05 -0.13349E-05 568 0.796E-03
15 F= -.14284129E+04 E0= -.14284292E+04 d E =-.789434E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841332379E+04 -0.38484E-03 -0.92940E-02 896 0.514E-01 0.666E-02
DAV: 2 -0.142841349778E+04 -0.17399E-03 -0.21467E-03 1032 0.683E-02 0.417E-02
DAV: 3 -0.142841348824E+04 0.95476E-05 -0.60409E-05 1032 0.147E-02
16 F= -.14284135E+04 E0= -.14284297E+04 d E =-.552206E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841353152E+04 -0.33735E-04 -0.38707E-02 896 0.331E-01 0.467E-02
DAV: 2 -0.142841359575E+04 -0.64233E-04 -0.84128E-04 1032 0.431E-02 0.292E-02
DAV: 3 -0.142841359211E+04 0.36429E-05 -0.26775E-05 720 0.100E-02
17 F= -.14284136E+04 E0= -.14284298E+04 d E =-.656079E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841395361E+04 -0.35785E-03 -0.67112E-02 896 0.436E-01 0.566E-02
DAV: 2 -0.142841407586E+04 -0.12225E-03 -0.14993E-03 1024 0.575E-02 0.347E-02
DAV: 3 -0.142841407119E+04 0.46617E-05 -0.38704E-05 904 0.118E-02
18 F= -.14284141E+04 E0= -.14284303E+04 d E =-.479084E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841403769E+04 0.38167E-04 -0.20175E-01 896 0.756E-01 0.975E-02
DAV: 2 -0.142841440237E+04 -0.36468E-03 -0.44995E-03 1032 0.995E-02 0.600E-02
DAV: 3 -0.142841438744E+04 0.14930E-04 -0.12085E-04 1072 0.205E-02 0.360E-02
DAV: 4 -0.142841438775E+04 -0.31377E-06 -0.54479E-05 936 0.159E-02
19 F= -.14284144E+04 E0= -.14284307E+04 d E =-.795643E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841472787E+04 -0.34044E-03 -0.81796E-02 896 0.479E-01 0.612E-02
DAV: 2 -0.142841487160E+04 -0.14373E-03 -0.17780E-03 1024 0.626E-02 0.378E-02
DAV: 3 -0.142841486514E+04 0.64647E-05 -0.44445E-05 944 0.132E-02
20 F= -.14284149E+04 E0= -.14284311E+04 d E =-.477387E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841460360E+04 0.26800E-03 -0.35366E-01 896 0.997E-01 0.127E-01
DAV: 2 -0.142841520063E+04 -0.59703E-03 -0.74658E-03 1024 0.128E-01 0.792E-02
DAV: 3 -0.142841517282E+04 0.27808E-04 -0.19959E-04 1064 0.268E-02 0.470E-02
DAV: 4 -0.142841517519E+04 -0.23654E-05 -0.87248E-05 1024 0.198E-02
21 F= -.14284152E+04 E0= -.14284313E+04 d E =-.787436E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841513889E+04 0.33931E-04 -0.27626E-02 896 0.279E-01 0.322E-02
DAV: 2 -0.142841518669E+04 -0.47795E-04 -0.59420E-04 1024 0.361E-02 0.215E-02
DAV: 3 -0.142841518326E+04 0.34251E-05 -0.13487E-05 592 0.713E-03
22 F= -.14284152E+04 E0= -.14284314E+04 d E =-.795510E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841558103E+04 -0.39434E-03 -0.90551E-02 896 0.507E-01 0.630E-02
DAV: 2 -0.142841574166E+04 -0.16063E-03 -0.20420E-03 1024 0.679E-02 0.404E-02
DAV: 3 -0.142841573081E+04 0.10847E-04 -0.57174E-05 1024 0.147E-02 0.243E-02
DAV: 4 -0.142841572982E+04 0.98580E-06 -0.21727E-05 616 0.987E-03
23 F= -.14284157E+04 E0= -.14284319E+04 d E =-.546561E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841578772E+04 -0.56909E-04 -0.12499E-01 896 0.595E-01 0.770E-02
DAV: 2 -0.142841600233E+04 -0.21462E-03 -0.27531E-03 1032 0.789E-02 0.485E-02
DAV: 3 -0.142841598873E+04 0.13601E-04 -0.79043E-05 1072 0.175E-02 0.289E-02
DAV: 4 -0.142841598882E+04 -0.82458E-07 -0.32245E-05 824 0.116E-02
24 F= -.14284160E+04 E0= -.14284321E+04 d E =-.805554E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841631045E+04 -0.32171E-03 -0.12310E-01 896 0.592E-01 0.759E-02
DAV: 2 -0.142841652715E+04 -0.21670E-03 -0.27319E-03 1032 0.782E-02 0.496E-02
DAV: 3 -0.142841651254E+04 0.14605E-04 -0.71864E-05 1072 0.173E-02 0.301E-02
DAV: 4 -0.142841651238E+04 0.16724E-06 -0.37935E-05 864 0.127E-02
25 F= -.14284165E+04 E0= -.14284326E+04 d E =-.523559E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841653639E+04 -0.23844E-04 -0.95407E-02 896 0.521E-01 0.669E-02
DAV: 2 -0.142841670539E+04 -0.16900E-03 -0.21226E-03 1032 0.689E-02 0.436E-02
DAV: 3 -0.142841669407E+04 0.11322E-04 -0.54216E-05 1016 0.152E-02 0.266E-02
DAV: 4 -0.142841669400E+04 0.69514E-07 -0.30004E-05 792 0.114E-02
26 F= -.14284167E+04 E0= -.14284328E+04 d E =-.705184E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841699946E+04 -0.30539E-03 -0.96489E-02 896 0.523E-01 0.678E-02
DAV: 2 -0.142841717072E+04 -0.17126E-03 -0.21759E-03 1016 0.697E-02 0.435E-02
DAV: 3 -0.142841715903E+04 0.11684E-04 -0.57772E-05 1032 0.152E-02 0.262E-02
DAV: 4 -0.142841715878E+04 0.25226E-06 -0.28458E-05 768 0.113E-02
27 F= -.14284172E+04 E0= -.14284332E+04 d E =-.464782E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841715441E+04 0.46233E-05 -0.14668E-01 896 0.644E-01 0.834E-02
DAV: 2 -0.142841741541E+04 -0.26100E-03 -0.33019E-03 1016 0.858E-02 0.536E-02
DAV: 3 -0.142841739788E+04 0.17535E-04 -0.86616E-05 1072 0.186E-02 0.324E-02
DAV: 4 -0.142841739752E+04 0.35916E-06 -0.44125E-05 904 0.139E-02
28 F= -.14284174E+04 E0= -.14284335E+04 d E =-.703519E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841768706E+04 -0.28918E-03 -0.11670E-01 896 0.574E-01 0.731E-02
DAV: 2 -0.142841788747E+04 -0.20041E-03 -0.25199E-03 1016 0.751E-02 0.481E-02
DAV: 3 -0.142841787390E+04 0.13566E-04 -0.63411E-05 1056 0.162E-02 0.290E-02
DAV: 4 -0.142841787387E+04 0.29555E-07 -0.36530E-05 856 0.121E-02
29 F= -.14284179E+04 E0= -.14284339E+04 d E =-.476356E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841796492E+04 -0.91017E-04 -0.24424E-02 896 0.262E-01 0.343E-02
DAV: 2 -0.142841800738E+04 -0.42456E-04 -0.53477E-04 1024 0.346E-02 0.223E-02
DAV: 3 -0.142841800428E+04 0.30968E-05 -0.11139E-05 584 0.756E-03
30 F= -.14284180E+04 E0= -.14284340E+04 d E =-.606761E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841795491E+04 0.52463E-04 -0.96180E-02 896 0.521E-01 0.667E-02
DAV: 2 -0.142841811246E+04 -0.15755E-03 -0.20199E-03 1024 0.672E-02 0.439E-02
DAV: 3 -0.142841810198E+04 0.10479E-04 -0.52694E-05 1008 0.144E-02 0.261E-02
DAV: 4 -0.142841810191E+04 0.71042E-07 -0.29388E-05 800 0.111E-02
31 F= -.14284181E+04 E0= -.14284341E+04 d E =-.704394E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841832826E+04 -0.22628E-03 -0.11646E-01 896 0.571E-01 0.724E-02
DAV: 2 -0.142841852411E+04 -0.19585E-03 -0.24599E-03 1008 0.736E-02 0.471E-02
DAV: 3 -0.142841851136E+04 0.12746E-04 -0.56945E-05 1016 0.154E-02 0.280E-02
DAV: 4 -0.142841851190E+04 -0.53755E-06 -0.34147E-05 832 0.117E-02
32 F= -.14284185E+04 E0= -.14284345E+04 d E =-.409985E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841861072E+04 -0.99355E-04 -0.29679E-02 896 0.288E-01 0.374E-02
DAV: 2 -0.142841866118E+04 -0.50464E-04 -0.63348E-04 1016 0.374E-02 0.240E-02
DAV: 3 -0.142841865777E+04 0.34091E-05 -0.12706E-05 648 0.794E-03
33 F= -.14284187E+04 E0= -.14284346E+04 d E =-.555858E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841865235E+04 0.88253E-05 -0.11687E-01 896 0.572E-01 0.732E-02
DAV: 2 -0.142841883959E+04 -0.18724E-03 -0.23971E-03 1016 0.727E-02 0.475E-02
DAV: 3 -0.142841882772E+04 0.11872E-04 -0.58644E-05 1016 0.151E-02 0.278E-02
DAV: 4 -0.142841882854E+04 -0.82322E-06 -0.32552E-05 816 0.115E-02
34 F= -.14284188E+04 E0= -.14284348E+04 d E =-.726631E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841911061E+04 -0.28289E-03 -0.42674E-02 896 0.350E-01 0.463E-02
DAV: 2 -0.142841919118E+04 -0.80568E-04 -0.10331E-03 1024 0.488E-02 0.308E-02
DAV: 3 -0.142841918337E+04 0.78071E-05 -0.27115E-05 792 0.112E-02
35 F= -.14284192E+04 E0= -.14284352E+04 d E =-.354827E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841920573E+04 -0.14552E-04 -0.45455E-02 896 0.362E-01 0.501E-02
DAV: 2 -0.142841928226E+04 -0.76529E-04 -0.10344E-03 1032 0.490E-02 0.331E-02
DAV: 3 -0.142841927415E+04 0.81108E-05 -0.30170E-05 824 0.116E-02
36 F= -.14284193E+04 E0= -.14284354E+04 d E =-.445604E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841944712E+04 -0.16486E-03 -0.29770E-02 896 0.291E-01 0.394E-02
DAV: 2 -0.142841949479E+04 -0.47666E-04 -0.61577E-04 1032 0.373E-02 0.260E-02
DAV: 3 -0.142841949084E+04 0.39471E-05 -0.16389E-05 672 0.876E-03
37 F= -.14284195E+04 E0= -.14284356E+04 d E =-.216692E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841948301E+04 0.11773E-04 -0.10709E-01 896 0.552E-01 0.715E-02
DAV: 2 -0.142841966064E+04 -0.17762E-03 -0.22518E-03 1032 0.711E-02 0.482E-02
DAV: 3 -0.142841964574E+04 0.14896E-04 -0.62454E-05 1040 0.162E-02 0.286E-02
DAV: 4 -0.142841964515E+04 0.58959E-06 -0.33112E-05 840 0.116E-02
38 F= -.14284196E+04 E0= -.14284357E+04 d E =-.371006E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841992616E+04 -0.28042E-03 -0.41221E-02 896 0.342E-01 0.452E-02
DAV: 2 -0.142841999727E+04 -0.71105E-04 -0.93574E-04 1040 0.466E-02 0.298E-02
DAV: 3 -0.142841999119E+04 0.60766E-05 -0.27922E-05 784 0.106E-02
39 F= -.14284200E+04 E0= -.14284360E+04 d E =-.346038E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842002169E+04 -0.24420E-04 -0.71282E-02 896 0.450E-01 0.613E-02
DAV: 2 -0.142842013559E+04 -0.11390E-03 -0.15575E-03 1040 0.602E-02 0.405E-02
DAV: 3 -0.142842012539E+04 0.10193E-04 -0.52867E-05 1016 0.137E-02 0.235E-02
DAV: 4 -0.142842012384E+04 0.15507E-05 -0.20227E-05 624 0.100E-02
40 F= -.14284201E+04 E0= -.14284360E+04 d E =-.478689E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842034914E+04 -0.22374E-03 -0.52036E-02 896 0.385E-01 0.506E-02
DAV: 2 -0.142842043872E+04 -0.89583E-04 -0.11494E-03 1032 0.516E-02 0.336E-02
DAV: 3 -0.142842043180E+04 0.69188E-05 -0.32607E-05 824 0.117E-02
41 F= -.14284204E+04 E0= -.14284363E+04 d E =-.307960E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842039712E+04 0.41600E-04 -0.11442E-01 896 0.572E-01 0.771E-02
DAV: 2 -0.142842058002E+04 -0.18290E-03 -0.24296E-03 1032 0.750E-02 0.512E-02
DAV: 3 -0.142842056613E+04 0.13888E-04 -0.78876E-05 1064 0.171E-02 0.303E-02
DAV: 4 -0.142842056596E+04 0.16349E-06 -0.38498E-05 856 0.125E-02
42 F= -.14284206E+04 E0= -.14284364E+04 d E =-.442122E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842077128E+04 -0.20515E-03 -0.74926E-02 896 0.463E-01 0.604E-02
DAV: 2 -0.142842090934E+04 -0.13807E-03 -0.17343E-03 1040 0.624E-02 0.398E-02
DAV: 3 -0.142842089861E+04 0.10739E-04 -0.43194E-05 936 0.134E-02 0.239E-02
DAV: 4 -0.142842089763E+04 0.97266E-06 -0.24748E-05 672 0.105E-02
43 F= -.14284209E+04 E0= -.14284368E+04 d E =-.331669E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842091242E+04 -0.13814E-04 -0.32419E-02 896 0.304E-01 0.401E-02
DAV: 2 -0.142842097237E+04 -0.59948E-04 -0.75181E-04 1040 0.411E-02 0.261E-02
DAV: 3 -0.142842096755E+04 0.48205E-05 -0.16398E-05 640 0.888E-03
44 F= -.14284210E+04 E0= -.14284370E+04 d E =-.401583E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842122447E+04 -0.25211E-03 -0.44378E-02 896 0.357E-01 0.469E-02
DAV: 2 -0.142842129516E+04 -0.70681E-04 -0.93976E-04 1032 0.467E-02 0.309E-02
DAV: 3 -0.142842128846E+04 0.66954E-05 -0.27015E-05 776 0.108E-02
45 F= -.14284213E+04 E0= -.14284373E+04 d E =-.320913E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842132540E+04 -0.30245E-04 -0.43921E-02 896 0.355E-01 0.478E-02
DAV: 2 -0.142842139318E+04 -0.67777E-04 -0.91170E-04 1032 0.461E-02 0.312E-02
DAV: 3 -0.142842138685E+04 0.63250E-05 -0.26884E-05 800 0.107E-02
46 F= -.14284214E+04 E0= -.14284374E+04 d E =-.419305E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842157278E+04 -0.17960E-03 -0.57347E-02 896 0.403E-01 0.537E-02
DAV: 2 -0.142842166448E+04 -0.91697E-04 -0.12175E-03 1032 0.526E-02 0.350E-02
DAV: 3 -0.142842165616E+04 0.83175E-05 -0.33688E-05 848 0.122E-02
47 F= -.14284217E+04 E0= -.14284376E+04 d E =-.269305E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842166227E+04 0.22084E-05 -0.46804E-02 896 0.364E-01 0.498E-02
DAV: 2 -0.142842173413E+04 -0.71862E-04 -0.97206E-04 1032 0.471E-02 0.322E-02
DAV: 3 -0.142842172742E+04 0.67090E-05 -0.27489E-05 800 0.111E-02
48 F= -.14284217E+04 E0= -.14284376E+04 d E =-.340568E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842193140E+04 -0.19728E-03 -0.55694E-02 896 0.398E-01 0.545E-02
DAV: 2 -0.142842202161E+04 -0.90203E-04 -0.12105E-03 1016 0.531E-02 0.343E-02
DAV: 3 -0.142842201452E+04 0.70856E-05 -0.36735E-05 928 0.118E-02
49 F= -.14284220E+04 E0= -.14284379E+04 d E =-.287102E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842199643E+04 0.25178E-04 -0.10135E-01 896 0.536E-01 0.737E-02
DAV: 2 -0.142842215980E+04 -0.16337E-03 -0.21961E-03 1016 0.715E-02 0.466E-02
DAV: 3 -0.142842214688E+04 0.12926E-04 -0.68712E-05 1072 0.160E-02 0.271E-02
DAV: 4 -0.142842214657E+04 0.31177E-06 -0.29539E-05 800 0.113E-02
50 F= -.14284221E+04 E0= -.14284381E+04 d E =-.419145E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842230935E+04 -0.16247E-03 -0.67613E-02 896 0.437E-01 0.580E-02
DAV: 2 -0.142842242376E+04 -0.11442E-03 -0.15055E-03 1008 0.589E-02 0.384E-02
DAV: 3 -0.142842241374E+04 0.10020E-04 -0.43204E-05 976 0.134E-02 0.232E-02
DAV: 4 -0.142842241286E+04 0.88613E-06 -0.24811E-05 688 0.100E-02
51 F= -.14284224E+04 E0= -.14284384E+04 d E =-.266292E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842242480E+04 -0.11052E-04 -0.31517E-02 896 0.298E-01 0.402E-02
DAV: 2 -0.142842247844E+04 -0.53642E-04 -0.70603E-04 1008 0.404E-02 0.265E-02
DAV: 3 -0.142842247360E+04 0.48383E-05 -0.18312E-05 688 0.924E-03
52 F= -.14284225E+04 E0= -.14284385E+04 d E =-.327034E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842269703E+04 -0.21859E-03 -0.51868E-02 896 0.383E-01 0.509E-02
DAV: 2 -0.142842277698E+04 -0.79948E-04 -0.10664E-03 1032 0.496E-02 0.331E-02
DAV: 3 -0.142842276993E+04 0.70438E-05 -0.30069E-05 824 0.114E-02
53 F= -.14284228E+04 E0= -.14284388E+04 d E =-.296333E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842276151E+04 0.15466E-04 -0.11483E-01 896 0.570E-01 0.754E-02
DAV: 2 -0.142842293958E+04 -0.17807E-03 -0.23462E-03 1032 0.732E-02 0.491E-02
DAV: 3 -0.142842292442E+04 0.15154E-04 -0.68878E-05 1072 0.166E-02 0.282E-02
DAV: 4 -0.142842292370E+04 0.72620E-06 -0.32550E-05 840 0.118E-02
54 F= -.14284229E+04 E0= -.14284388E+04 d E =-.450099E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842307774E+04 -0.15332E-03 -0.37011E-02 896 0.322E-01 0.421E-02
DAV: 2 -0.142842313892E+04 -0.61178E-04 -0.77234E-04 1032 0.416E-02 0.271E-02
DAV: 3 -0.142842313424E+04 0.46780E-05 -0.16814E-05 656 0.924E-03
55 F= -.14284231E+04 E0= -.14284390E+04 d E =-.210542E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842289265E+04 0.24627E-03 -0.32977E-01 896 0.962E-01 0.124E-01
DAV: 2 -0.142842341489E+04 -0.52224E-03 -0.67112E-03 1032 0.122E-01 0.809E-02
DAV: 3 -0.142842337535E+04 0.39541E-04 -0.17154E-04 1096 0.265E-02 0.463E-02
DAV: 4 -0.142842337456E+04 0.79132E-06 -0.80520E-05 992 0.176E-02
56 F= -.14284234E+04 E0= -.14284393E+04 d E =-.450858E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842334560E+04 0.29746E-04 -0.18553E-02 896 0.229E-01 0.274E-02
DAV: 2 -0.142842337346E+04 -0.27853E-04 -0.37919E-04 992 0.292E-02 0.187E-02
DAV: 3 -0.142842337045E+04 0.30011E-05 -0.89169E-06 536 0.615E-03
57 F= -.14284234E+04 E0= -.14284393E+04 d E =-.446756E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842359149E+04 -0.21803E-03 -0.44040E-02 896 0.354E-01 0.441E-02
DAV: 2 -0.142842366797E+04 -0.76481E-04 -0.97093E-04 1008 0.472E-02 0.303E-02
DAV: 3 -0.142842366095E+04 0.70234E-05 -0.24373E-05 768 0.105E-02
58 F= -.14284237E+04 E0= -.14284396E+04 d E =-.290493E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842368609E+04 -0.18115E-04 -0.70834E-02 896 0.449E-01 0.599E-02
DAV: 2 -0.142842379789E+04 -0.11181E-03 -0.14692E-03 1016 0.582E-02 0.402E-02
DAV: 3 -0.142842378824E+04 0.96472E-05 -0.43284E-05 992 0.134E-02
59 F= -.14284238E+04 E0= -.14284398E+04 d E =-.417789E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842396245E+04 -0.16456E-03 -0.44659E-02 896 0.355E-01 0.487E-02
DAV: 2 -0.142842403009E+04 -0.67642E-04 -0.90120E-04 1048 0.458E-02 0.312E-02
DAV: 3 -0.142842402506E+04 0.50285E-05 -0.25069E-05 768 0.103E-02
60 F= -.14284240E+04 E0= -.14284400E+04 d E =-.236819E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842389049E+04 0.13960E-03 -0.21467E-01 896 0.777E-01 0.102E-01
DAV: 2 -0.142842422971E+04 -0.33922E-03 -0.44109E-03 1040 0.101E-01 0.662E-02
DAV: 3 -0.142842420347E+04 0.26232E-04 -0.12077E-04 1080 0.221E-02 0.387E-02
DAV: 4 -0.142842420379E+04 -0.31630E-06 -0.61836E-05 1000 0.157E-02
61 F= -.14284242E+04 E0= -.14284402E+04 d E =-.415548E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842418507E+04 0.18407E-04 -0.13929E-02 896 0.198E-01 0.240E-02
DAV: 2 -0.142842420550E+04 -0.20429E-04 -0.28670E-04 1000 0.257E-02 0.164E-02
DAV: 3 -0.142842420303E+04 0.24713E-05 -0.75710E-06 504 0.560E-03
62 F= -.14284242E+04 E0= -.14284402E+04 d E =-.414783E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842440841E+04 -0.20291E-03 -0.44884E-02 896 0.355E-01 0.448E-02
DAV: 2 -0.142842448369E+04 -0.75284E-04 -0.98227E-04 1032 0.476E-02 0.298E-02
DAV: 3 -0.142842447633E+04 0.73647E-05 -0.24464E-05 760 0.105E-02
63 F= -.14284245E+04 E0= -.14284404E+04 d E =-.273304E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842449241E+04 -0.87163E-05 -0.63882E-02 896 0.424E-01 0.572E-02
DAV: 2 -0.142842458939E+04 -0.96981E-04 -0.13174E-03 1048 0.553E-02 0.371E-02
DAV: 3 -0.142842458021E+04 0.91809E-05 -0.37663E-05 904 0.127E-02
64 F= -.14284246E+04 E0= -.14284404E+04 d E =-.377184E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842474745E+04 -0.15806E-03 -0.44517E-02 896 0.353E-01 0.479E-02
DAV: 2 -0.142842481305E+04 -0.65598E-04 -0.88536E-04 1032 0.451E-02 0.313E-02
DAV: 3 -0.142842480776E+04 0.52919E-05 -0.23226E-05 760 0.106E-02
65 F= -.14284248E+04 E0= -.14284407E+04 d E =-.227551E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842465298E+04 0.16007E-03 -0.25700E-01 896 0.849E-01 0.110E-01
DAV: 2 -0.142842505174E+04 -0.39876E-03 -0.52211E-03 1032 0.109E-01 0.733E-02
DAV: 3 -0.142842501969E+04 0.32052E-04 -0.14105E-04 1088 0.249E-02 0.434E-02
DAV: 4 -0.142842502078E+04 -0.10833E-05 -0.84502E-05 1000 0.176E-02
66 F= -.14284250E+04 E0= -.14284409E+04 d E =-.440565E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842519159E+04 -0.17190E-03 -0.42266E-02 896 0.344E-01 0.467E-02
DAV: 2 -0.142842526365E+04 -0.72059E-04 -0.92451E-04 1032 0.457E-02 0.291E-02
DAV: 3 -0.142842525853E+04 0.51168E-05 -0.20437E-05 712 0.100E-02
67 F= -.14284253E+04 E0= -.14284412E+04 d E =-.237755E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842497304E+04 0.29060E-03 -0.37531E-01 896 0.102E+00 0.136E-01
DAV: 2 -0.142842558339E+04 -0.61035E-03 -0.79609E-03 1032 0.134E-01 0.861E-02
DAV: 3 -0.142842553836E+04 0.45025E-04 -0.20051E-04 1104 0.283E-02 0.498E-02
DAV: 4 -0.142842553865E+04 -0.28266E-06 -0.99291E-05 1000 0.200E-02
68 F= -.14284255E+04 E0= -.14284415E+04 d E =-.517871E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842549743E+04 0.40936E-04 -0.23495E-02 896 0.257E-01 0.316E-02
DAV: 2 -0.142842553457E+04 -0.37138E-04 -0.49773E-04 1000 0.334E-02 0.212E-02
DAV: 3 -0.142842553077E+04 0.37964E-05 -0.11041E-05 584 0.679E-03
69 F= -.14284255E+04 E0= -.14284415E+04 d E =-.509994E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842576479E+04 -0.23022E-03 -0.39353E-02 896 0.333E-01 0.422E-02
DAV: 2 -0.142842583415E+04 -0.69366E-04 -0.88902E-04 1040 0.450E-02 0.279E-02
DAV: 3 -0.142842582800E+04 0.61577E-05 -0.21723E-05 696 0.100E-02
70 F= -.14284258E+04 E0= -.14284418E+04 d E =-.297227E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842581226E+04 0.21894E-04 -0.16961E-01 896 0.692E-01 0.926E-02
DAV: 2 -0.142842608831E+04 -0.27605E-03 -0.36369E-03 1040 0.915E-02 0.600E-02
DAV: 3 -0.142842606581E+04 0.22497E-04 -0.11010E-04 1088 0.212E-02 0.351E-02
DAV: 4 -0.142842606396E+04 0.18541E-05 -0.50211E-05 944 0.152E-02
71 F= -.14284261E+04 E0= -.14284418E+04 d E =-.533191E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842621314E+04 -0.14733E-03 -0.56177E-02 896 0.397E-01 0.527E-02
DAV: 2 -0.142842630720E+04 -0.94055E-04 -0.11967E-03 1032 0.520E-02 0.341E-02
DAV: 3 -0.142842629957E+04 0.76273E-05 -0.28342E-05 792 0.119E-02
72 F= -.14284263E+04 E0= -.14284420E+04 d E =-.235611E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842570839E+04 0.59881E-03 -0.50110E-01 896 0.119E+00 0.156E-01
DAV: 2 -0.142842650885E+04 -0.80046E-03 -0.10404E-02 1032 0.153E-01 0.102E-01
DAV: 3 -0.142842644509E+04 0.63761E-04 -0.27121E-04 1088 0.342E-02 0.599E-02
DAV: 4 -0.142842644558E+04 -0.48352E-06 -0.15395E-04 992 0.242E-02 0.166E-02
DAV: 5 -0.142842644505E+04 0.52261E-06 -0.25223E-05 752 0.114E-02
73 F= -.14284264E+04 E0= -.14284421E+04 d E =-.381093E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842640214E+04 0.43441E-04 -0.61833E-02 896 0.416E-01 0.531E-02
DAV: 2 -0.142842649894E+04 -0.96806E-04 -0.12901E-03 1016 0.542E-02 0.354E-02
DAV: 3 -0.142842648954E+04 0.93974E-05 -0.32060E-05 840 0.121E-02
74 F= -.14284265E+04 E0= -.14284421E+04 d E =-.425583E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842670541E+04 -0.20647E-03 -0.65181E-02 896 0.426E-01 0.519E-02
DAV: 2 -0.142842681849E+04 -0.11308E-03 -0.14132E-03 1008 0.561E-02 0.343E-02
DAV: 3 -0.142842680904E+04 0.94499E-05 -0.30161E-05 856 0.119E-02
75 F= -.14284268E+04 E0= -.14284425E+04 d E =-.319498E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842647961E+04 0.33888E-03 -0.46492E-01 896 0.114E+00 0.149E-01
DAV: 2 -0.142842722025E+04 -0.74064E-03 -0.95909E-03 1024 0.147E-01 0.962E-02
DAV: 3 -0.142842716312E+04 0.57125E-04 -0.24501E-04 1088 0.320E-02 0.556E-02
DAV: 4 -0.142842716493E+04 -0.18047E-05 -0.12818E-04 1024 0.222E-02 0.151E-02
DAV: 5 -0.142842716454E+04 0.39000E-06 -0.21162E-05 680 0.105E-02
76 F= -.14284272E+04 E0= -.14284430E+04 d E =-.674994E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842735694E+04 -0.19202E-03 -0.11661E-01 896 0.570E-01 0.732E-02
DAV: 2 -0.142842755095E+04 -0.19400E-03 -0.24341E-03 984 0.735E-02 0.486E-02
DAV: 3 -0.142842753641E+04 0.14539E-04 -0.59100E-05 1064 0.166E-02 0.288E-02
DAV: 4 -0.142842753678E+04 -0.37263E-06 -0.35952E-05 904 0.116E-02
77 F= -.14284275E+04 E0= -.14284434E+04 d E =-.372243E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842741809E+04 0.11832E-03 -0.26580E-01 896 0.860E-01 0.111E-01
DAV: 2 -0.142842785630E+04 -0.43821E-03 -0.55627E-03 984 0.111E-01 0.739E-02
DAV: 3 -0.142842782199E+04 0.34316E-04 -0.13804E-04 1096 0.254E-02 0.441E-02
DAV: 4 -0.142842782309E+04 -0.11082E-05 -0.88147E-05 1008 0.181E-02
78 F= -.14284278E+04 E0= -.14284436E+04 d E =-.658556E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842809694E+04 -0.27495E-03 -0.81724E-02 896 0.480E-01 0.646E-02
DAV: 2 -0.142842823944E+04 -0.14250E-03 -0.18161E-03 1040 0.645E-02 0.413E-02
DAV: 3 -0.142842822867E+04 0.10771E-04 -0.48027E-05 1016 0.146E-02 0.245E-02
DAV: 4 -0.142842822884E+04 -0.17138E-06 -0.26299E-05 752 0.106E-02
79 F= -.14284282E+04 E0= -.14284440E+04 d E =-.405747E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842831340E+04 -0.84729E-04 -0.17685E-02 896 0.223E-01 0.304E-02
DAV: 2 -0.142842834452E+04 -0.31125E-04 -0.39410E-04 1040 0.301E-02 0.191E-02
DAV: 3 -0.142842834196E+04 0.25598E-05 -0.86401E-06 560 0.691E-03
80 F= -.14284283E+04 E0= -.14284441E+04 d E =-.518870E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842832029E+04 0.24230E-04 -0.69758E-02 896 0.444E-01 0.596E-02
DAV: 2 -0.142842843459E+04 -0.11430E-03 -0.14941E-03 1048 0.585E-02 0.380E-02
DAV: 3 -0.142842842547E+04 0.91235E-05 -0.40327E-05 936 0.131E-02
81 F= -.14284284E+04 E0= -.14284441E+04 d E =-.602371E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842857993E+04 -0.14534E-03 -0.90234E-02 896 0.501E-01 0.680E-02
DAV: 2 -0.142842871897E+04 -0.13903E-03 -0.18416E-03 1008 0.646E-02 0.440E-02
DAV: 3 -0.142842870855E+04 0.10417E-04 -0.54738E-05 1024 0.148E-02 0.255E-02
DAV: 4 -0.142842870919E+04 -0.64095E-06 -0.27026E-05 744 0.107E-02
82 F= -.14284287E+04 E0= -.14284443E+04 d E =-.283724E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842869549E+04 0.13063E-04 -0.10290E-01 896 0.535E-01 0.699E-02
DAV: 2 -0.142842886815E+04 -0.17266E-03 -0.21878E-03 1000 0.700E-02 0.457E-02
DAV: 3 -0.142842885515E+04 0.12999E-04 -0.57642E-05 1032 0.157E-02 0.272E-02
DAV: 4 -0.142842885534E+04 -0.19472E-06 -0.31524E-05 808 0.112E-02
83 F= -.14284289E+04 E0= -.14284444E+04 d E =-.429879E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842909864E+04 -0.24349E-03 -0.60560E-02 896 0.412E-01 0.550E-02
DAV: 2 -0.142842920352E+04 -0.10488E-03 -0.13605E-03 1040 0.560E-02 0.358E-02
DAV: 3 -0.142842919454E+04 0.89828E-05 -0.39527E-05 904 0.133E-02
84 F= -.14284292E+04 E0= -.14284448E+04 d E =-.339197E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842920349E+04 0.36285E-07 -0.49590E-02 896 0.373E-01 0.530E-02
DAV: 2 -0.142842927985E+04 -0.76358E-04 -0.10579E-03 1048 0.497E-02 0.342E-02
DAV: 3 -0.142842927258E+04 0.72690E-05 -0.33921E-05 856 0.122E-02
85 F= -.14284293E+04 E0= -.14284450E+04 d E =-.417232E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842939811E+04 -0.11826E-03 -0.71335E-02 896 0.445E-01 0.594E-02
DAV: 2 -0.142842951350E+04 -0.11539E-03 -0.14897E-03 1024 0.578E-02 0.388E-02
DAV: 3 -0.142842950428E+04 0.92143E-05 -0.40000E-05 960 0.132E-02
86 F= -.14284295E+04 E0= -.14284453E+04 d E =-.231705E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842947803E+04 0.35471E-04 -0.70686E-02 896 0.443E-01 0.598E-02
DAV: 2 -0.142842958976E+04 -0.11174E-03 -0.14509E-03 1016 0.571E-02 0.387E-02
DAV: 3 -0.142842958149E+04 0.82758E-05 -0.40661E-05 960 0.131E-02
87 F= -.14284296E+04 E0= -.14284454E+04 d E =-.308908E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842978457E+04 -0.19481E-03 -0.93210E-02 896 0.509E-01 0.676E-02
DAV: 2 -0.142842993757E+04 -0.15301E-03 -0.19943E-03 1024 0.671E-02 0.442E-02
DAV: 3 -0.142842992608E+04 0.11497E-04 -0.55451E-05 1048 0.150E-02 0.258E-02
DAV: 4 -0.142842992651E+04 -0.42885E-06 -0.28804E-05 776 0.112E-02
88 F= -.14284299E+04 E0= -.14284457E+04 d E =-.345020E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842994835E+04 -0.22277E-04 -0.16070E-02 896 0.211E-01 0.281E-02
DAV: 2 -0.142842997718E+04 -0.28828E-04 -0.36046E-04 1024 0.285E-02 0.182E-02
DAV: 3 -0.142842997483E+04 0.23470E-05 -0.76439E-06 560 0.659E-03
89 F= -.14284300E+04 E0= -.14284457E+04 d E =-.393349E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843016283E+04 -0.18565E-03 -0.50269E-02 896 0.375E-01 0.500E-02
DAV: 2 -0.142843024839E+04 -0.85561E-04 -0.11310E-03 1024 0.509E-02 0.322E-02
DAV: 3 -0.142843024134E+04 0.70525E-05 -0.34653E-05 880 0.113E-02
90 F= -.14284302E+04 E0= -.14284459E+04 d E =-.266505E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843025728E+04 -0.88907E-05 -0.25732E-02 896 0.268E-01 0.384E-02
DAV: 2 -0.142843029729E+04 -0.40004E-04 -0.55279E-04 1032 0.358E-02 0.244E-02
DAV: 3 -0.142843029395E+04 0.33362E-05 -0.17769E-05 680 0.836E-03
91 F= -.14284303E+04 E0= -.14284460E+04 d E =-.319116E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843041161E+04 -0.11432E-03 -0.44617E-02 896 0.351E-01 0.468E-02
DAV: 2 -0.142843048556E+04 -0.73950E-04 -0.96525E-04 1008 0.462E-02 0.303E-02
DAV: 3 -0.142843048001E+04 0.55475E-05 -0.25940E-05 792 0.101E-02
92 F= -.14284305E+04 E0= -.14284462E+04 d E =-.186059E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843047399E+04 0.11570E-04 -0.40942E-02 896 0.336E-01 0.458E-02
DAV: 2 -0.142843053938E+04 -0.65393E-04 -0.86799E-04 1008 0.439E-02 0.295E-02
DAV: 3 -0.142843053466E+04 0.47250E-05 -0.24441E-05 792 0.977E-03
93 F= -.14284305E+04 E0= -.14284463E+04 d E =-.240704E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843067970E+04 -0.14032E-03 -0.43696E-02 896 0.345E-01 0.457E-02
DAV: 2 -0.142843075099E+04 -0.71287E-04 -0.91895E-04 1008 0.449E-02 0.296E-02
DAV: 3 -0.142843074607E+04 0.49153E-05 -0.22431E-05 792 0.961E-03
94 F= -.14284307E+04 E0= -.14284464E+04 d E =-.211419E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843065449E+04 0.96502E-04 -0.15380E-01 896 0.647E-01 0.837E-02
DAV: 2 -0.142843091108E+04 -0.25659E-03 -0.32646E-03 1016 0.843E-02 0.546E-02
DAV: 3 -0.142843089336E+04 0.17717E-04 -0.82275E-05 1072 0.178E-02 0.319E-02
DAV: 4 -0.142843089450E+04 -0.11389E-05 -0.44852E-05 904 0.134E-02
95 F= -.14284309E+04 E0= -.14284465E+04 d E =-.359842E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843103037E+04 -0.13701E-03 -0.43254E-02 896 0.342E-01 0.441E-02
DAV: 2 -0.142843110675E+04 -0.76376E-04 -0.93488E-04 992 0.448E-02 0.287E-02
DAV: 3 -0.142843110172E+04 0.50266E-05 -0.18824E-05 760 0.954E-03
96 F= -.14284311E+04 E0= -.14284467E+04 d E =-.207224E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843078314E+04 0.32361E-03 -0.38431E-01 896 0.102E+00 0.129E-01
DAV: 2 -0.142843143022E+04 -0.64708E-03 -0.80810E-03 992 0.131E-01 0.850E-02
DAV: 3 -0.142843138754E+04 0.42684E-04 -0.18903E-04 1096 0.271E-02 0.495E-02
DAV: 4 -0.142843139098E+04 -0.34464E-05 -0.10250E-04 1000 0.201E-02 0.130E-02
DAV: 5 -0.142843139111E+04 -0.12277E-06 -0.17135E-05 656 0.911E-03
97 F= -.14284314E+04 E0= -.14284470E+04 d E =-.496608E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843156894E+04 -0.17796E-03 -0.85936E-02 896 0.483E-01 0.608E-02
DAV: 2 -0.142843172257E+04 -0.15362E-03 -0.18765E-03 992 0.631E-02 0.401E-02
DAV: 3 -0.142843171289E+04 0.96786E-05 -0.41105E-05 952 0.129E-02
98 F= -.14284317E+04 E0= -.14284474E+04 d E =-.321781E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843135142E+04 0.37114E-03 -0.37850E-01 896 0.101E+00 0.130E-01
DAV: 2 -0.142843199057E+04 -0.63915E-03 -0.80372E-03 992 0.131E-01 0.854E-02
DAV: 3 -0.142843194795E+04 0.42621E-04 -0.19638E-04 1088 0.272E-02 0.497E-02
DAV: 4 -0.142843195040E+04 -0.24491E-05 -0.96379E-05 1016 0.197E-02
99 F= -.14284320E+04 E0= -.14284477E+04 d E =-.559292E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843189388E+04 0.54071E-04 -0.32769E-02 896 0.299E-01 0.357E-02
DAV: 2 -0.142843194810E+04 -0.54225E-04 -0.70557E-04 984 0.389E-02 0.247E-02
DAV: 3 -0.142843194305E+04 0.50562E-05 -0.14982E-05 672 0.768E-03
100 F= -.14284319E+04 E0= -.14284477E+04 d E =-.551941E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843212214E+04 -0.17403E-03 -0.86541E-02 896 0.486E-01 0.611E-02
DAV: 2 -0.142843228217E+04 -0.16004E-03 -0.19885E-03 992 0.657E-02 0.405E-02
DAV: 3 -0.142843226995E+04 0.12221E-04 -0.46941E-05 1000 0.136E-02 0.243E-02
DAV: 4 -0.142843226914E+04 0.80871E-06 -0.24598E-05 744 0.100E-02
101 F= -.14284323E+04 E0= -.14284480E+04 d E =-.326094E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843226127E+04 0.86778E-05 -0.10659E-01 896 0.539E-01 0.707E-02
DAV: 2 -0.142843245286E+04 -0.19159E-03 -0.23924E-03 992 0.721E-02 0.458E-02
DAV: 3 -0.142843243956E+04 0.13303E-04 -0.59625E-05 1048 0.154E-02 0.274E-02
DAV: 4 -0.142843244018E+04 -0.62335E-06 -0.31408E-05 816 0.113E-02
102 F= -.14284324E+04 E0= -.14284482E+04 d E =-.497132E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843255936E+04 -0.11980E-03 -0.11632E-01 896 0.563E-01 0.737E-02
DAV: 2 -0.142843276460E+04 -0.20524E-03 -0.25929E-03 1000 0.752E-02 0.483E-02
DAV: 3 -0.142843274945E+04 0.15153E-04 -0.66158E-05 1072 0.166E-02 0.291E-02
DAV: 4 -0.142843274943E+04 0.18161E-07 -0.36359E-05 888 0.125E-02
103 F= -.14284327E+04 E0= -.14284484E+04 d E =-.309249E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843275685E+04 -0.74062E-05 -0.30966E-02 896 0.290E-01 0.393E-02
DAV: 2 -0.142843281193E+04 -0.55078E-04 -0.69631E-04 1024 0.391E-02 0.254E-02
DAV: 3 -0.142843280757E+04 0.43654E-05 -0.15431E-05 672 0.885E-03
104 F= -.14284328E+04 E0= -.14284485E+04 d E =-.367387E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843291175E+04 -0.99817E-04 -0.13433E-01 896 0.604E-01 0.786E-02
DAV: 2 -0.142843313483E+04 -0.22308E-03 -0.28343E-03 1000 0.782E-02 0.512E-02
DAV: 3 -0.142843311892E+04 0.15903E-04 -0.70526E-05 1088 0.168E-02 0.299E-02
DAV: 4 -0.142843312025E+04 -0.13294E-05 -0.37502E-05 872 0.121E-02
105 F= -.14284331E+04 E0= -.14284488E+04 d E =-.312686E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843313265E+04 -0.13727E-04 -0.51416E-02 896 0.373E-01 0.488E-02
DAV: 2 -0.142843322335E+04 -0.90701E-04 -0.11190E-03 1000 0.491E-02 0.315E-02
DAV: 3 -0.142843321690E+04 0.64477E-05 -0.24325E-05 808 0.107E-02
106 F= -.14284332E+04 E0= -.14284489E+04 d E =-.409337E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843287969E+04 0.34366E-03 -0.20293E-01 896 0.742E-01 0.966E-02
DAV: 2 -0.142843321617E+04 -0.33648E-03 -0.42694E-03 1000 0.959E-02 0.629E-02
DAV: 3 -0.142843319244E+04 0.23727E-04 -0.10649E-04 1096 0.206E-02 0.367E-02
DAV: 4 -0.142843319458E+04 -0.21375E-05 -0.56661E-05 960 0.147E-02
107 F= -.14284332E+04 E0= -.14284489E+04 d E =-.387013E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843310264E+04 0.89799E-04 -0.90936E-02 896 0.497E-01 0.613E-02
DAV: 2 -0.142843325471E+04 -0.15207E-03 -0.19382E-03 1000 0.646E-02 0.410E-02
DAV: 3 -0.142843324245E+04 0.12260E-04 -0.46968E-05 1024 0.135E-02 0.239E-02
DAV: 4 -0.142843324187E+04 0.58390E-06 -0.23158E-05 720 0.962E-03
108 F= -.14284332E+04 E0= -.14284489E+04 d E =-.434300E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843330345E+04 -0.60998E-04 -0.13325E-01 896 0.601E-01 0.736E-02
DAV: 2 -0.142843353241E+04 -0.22896E-03 -0.28460E-03 976 0.774E-02 0.499E-02
DAV: 3 -0.142843351501E+04 0.17401E-04 -0.60499E-05 1040 0.156E-02 0.293E-02
DAV: 4 -0.142843351484E+04 0.16901E-06 -0.34472E-05 856 0.116E-02
109 F= -.14284335E+04 E0= -.14284492E+04 d E =-.272974E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843352684E+04 -0.11835E-04 -0.45857E-02 896 0.352E-01 0.451E-02
DAV: 2 -0.142843360805E+04 -0.81202E-04 -0.99008E-04 992 0.457E-02 0.298E-02
DAV: 3 -0.142843360240E+04 0.56434E-05 -0.18783E-05 752 0.969E-03
110 F= -.14284336E+04 E0= -.14284494E+04 d E =-.360536E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843333948E+04 0.26856E-03 -0.18089E-01 896 0.700E-01 0.892E-02
DAV: 2 -0.142843364305E+04 -0.30356E-03 -0.37909E-03 992 0.895E-02 0.592E-02
DAV: 3 -0.142843362227E+04 0.20776E-04 -0.84891E-05 1088 0.185E-02 0.346E-02
DAV: 4 -0.142843362402E+04 -0.17543E-05 -0.47663E-05 944 0.137E-02
111 F= -.14284336E+04 E0= -.14284495E+04 d E =-.382158E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843355514E+04 0.67128E-04 -0.54058E-02 896 0.383E-01 0.464E-02
DAV: 2 -0.142843364563E+04 -0.90490E-04 -0.11445E-03 968 0.492E-02 0.317E-02
DAV: 3 -0.142843363808E+04 0.75497E-05 -0.23250E-05 792 0.983E-03
112 F= -.14284336E+04 E0= -.14284495E+04 d E =-.396216E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843375890E+04 -0.11326E-03 -0.92078E-02 896 0.499E-01 0.606E-02
DAV: 2 -0.142843392617E+04 -0.16727E-03 -0.20444E-03 960 0.656E-02 0.409E-02
DAV: 3 -0.142843391409E+04 0.12074E-04 -0.41418E-05 960 0.131E-02 0.245E-02
DAV: 4 -0.142843391384E+04 0.25264E-06 -0.25649E-05 736 0.101E-02
113 F= -.14284339E+04 E0= -.14284497E+04 d E =-.275758E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843354604E+04 0.36805E-03 -0.47790E-01 896 0.114E+00 0.144E-01
DAV: 2 -0.142843437943E+04 -0.83339E-03 -0.10283E-02 960 0.147E-01 0.949E-02
DAV: 3 -0.142843432496E+04 0.54476E-04 -0.22533E-04 1080 0.302E-02 0.563E-02
DAV: 4 -0.142843432999E+04 -0.50362E-05 -0.13235E-04 1016 0.227E-02 0.153E-02
DAV: 5 -0.142843433004E+04 -0.48327E-07 -0.22826E-05 728 0.106E-02
114 F= -.14284343E+04 E0= -.14284501E+04 d E =-.691957E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843114210E+04 0.31879E-02 -0.19095E+00 896 0.227E+00 0.285E-01
DAV: 2 -0.142843448379E+04 -0.33417E-02 -0.41102E-02 960 0.294E-01 0.189E-01
DAV: 3 -0.142843426407E+04 0.21972E-03 -0.88939E-04 1080 0.598E-02 0.112E-01
DAV: 4 -0.142843427995E+04 -0.15880E-04 -0.51698E-04 1024 0.449E-02 0.298E-02
DAV: 5 -0.142843428107E+04 -0.11208E-05 -0.96814E-05 1048 0.210E-02
115 F= -.14284343E+04 E0= -.14284500E+04 d E =-.642986E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843331665E+04 0.96330E-03 -0.72685E-01 896 0.140E+00 0.174E-01
DAV: 2 -0.142843454434E+04 -0.12277E-02 -0.15495E-02 960 0.181E-01 0.117E-01
DAV: 3 -0.142843445274E+04 0.91596E-04 -0.35045E-04 1080 0.369E-02 0.691E-02
DAV: 4 -0.142843445415E+04 -0.14044E-05 -0.20300E-04 1016 0.281E-02 0.186E-02
DAV: 5 -0.142843445448E+04 -0.32924E-06 -0.36884E-05 808 0.130E-02
116 F= -.14284345E+04 E0= -.14284501E+04 d E =-.816393E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843458225E+04 -0.12810E-03 -0.11690E-01 896 0.561E-01 0.698E-02
DAV: 2 -0.142843477544E+04 -0.19320E-03 -0.24750E-03 960 0.724E-02 0.469E-02
DAV: 3 -0.142843476043E+04 0.15017E-04 -0.56218E-05 1032 0.148E-02 0.277E-02
DAV: 4 -0.142843476033E+04 0.91852E-07 -0.34148E-05 856 0.116E-02
117 F= -.14284348E+04 E0= -.14284504E+04 d E =-.305858E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843462426E+04 0.13617E-03 -0.29776E-01 896 0.894E-01 0.114E-01
DAV: 2 -0.142843513957E+04 -0.51532E-03 -0.63915E-03 960 0.116E-01 0.752E-02
DAV: 3 -0.142843510583E+04 0.33744E-04 -0.13923E-04 1088 0.239E-02 0.448E-02
DAV: 4 -0.142843510896E+04 -0.31257E-05 -0.85282E-05 992 0.182E-02
118 F= -.14284351E+04 E0= -.14284508E+04 d E =-.654481E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843337978E+04 0.17260E-02 -0.11904E+00 896 0.179E+00 0.227E-01
DAV: 2 -0.142843543333E+04 -0.20536E-02 -0.25497E-02 960 0.232E-01 0.150E-01
DAV: 3 -0.142843529694E+04 0.13640E-03 -0.55478E-04 1088 0.476E-02 0.892E-02
DAV: 4 -0.142843530782E+04 -0.10882E-04 -0.33934E-04 1008 0.362E-02 0.242E-02
DAV: 5 -0.142843530800E+04 -0.18523E-06 -0.61860E-05 1000 0.170E-02
119 F= -.14284353E+04 E0= -.14284510E+04 d E =-.853527E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843533274E+04 -0.24921E-04 -0.12817E-01 896 0.586E-01 0.747E-02
DAV: 2 -0.142843556042E+04 -0.22769E-03 -0.27482E-03 976 0.754E-02 0.485E-02
DAV: 3 -0.142843554794E+04 0.12480E-04 -0.54040E-05 1024 0.150E-02 0.285E-02
DAV: 4 -0.142843555015E+04 -0.22074E-05 -0.31422E-05 840 0.111E-02
120 F= -.14284356E+04 E0= -.14284512E+04 d E =-.242148E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843458386E+04 0.96409E-03 -0.93226E-01 896 0.158E+00 0.199E-01
DAV: 2 -0.142843618365E+04 -0.15998E-02 -0.19806E-02 960 0.203E-01 0.131E-01
DAV: 3 -0.142843607949E+04 0.10416E-03 -0.41128E-04 1088 0.408E-02 0.771E-02
DAV: 4 -0.142843608858E+04 -0.90911E-05 -0.23992E-04 1000 0.304E-02 0.199E-02
DAV: 5 -0.142843608935E+04 -0.76885E-06 -0.44105E-05 880 0.142E-02
121 F= -.14284361E+04 E0= -.14284517E+04 d E =-.781350E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843060173E+04 0.54869E-02 -0.37236E+00 896 0.316E+00 0.397E-01
DAV: 2 -0.142843699518E+04 -0.63935E-02 -0.79035E-02 952 0.406E-01 0.261E-01
DAV: 3 -0.142843659126E+04 0.40392E-03 -0.16654E-03 1080 0.810E-02 0.153E-01
DAV: 4 -0.142843662499E+04 -0.33729E-04 -0.95490E-04 1000 0.611E-02 0.397E-02
DAV: 5 -0.142843662704E+04 -0.20527E-05 -0.18452E-04 1032 0.288E-02 0.187E-02
DAV: 6 -0.142843662759E+04 -0.54552E-06 -0.35709E-05 872 0.102E-02
122 F= -.14284366E+04 E0= -.14284522E+04 d E =-.131959E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843652287E+04 0.10418E-03 -0.67869E-01 896 0.135E+00 0.170E-01
DAV: 2 -0.142843769678E+04 -0.11739E-02 -0.14451E-02 960 0.174E-01 0.112E-01
DAV: 3 -0.142843762270E+04 0.74084E-04 -0.30886E-04 1088 0.353E-02 0.661E-02
DAV: 4 -0.142843762856E+04 -0.58623E-05 -0.17717E-04 1016 0.263E-02 0.169E-02
DAV: 5 -0.142843762887E+04 -0.30873E-06 -0.32078E-05 792 0.122E-02
123 F= -.14284376E+04 E0= -.14284531E+04 d E =-.100128E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843481698E+04 0.28116E-02 -0.22110E+00 896 0.244E+00 0.305E-01
DAV: 2 -0.142843862270E+04 -0.38057E-02 -0.46980E-02 960 0.314E-01 0.203E-01
DAV: 3 -0.142843837041E+04 0.25229E-03 -0.10098E-03 1080 0.640E-02 0.119E-01
DAV: 4 -0.142843838435E+04 -0.13939E-04 -0.58638E-04 1016 0.475E-02 0.305E-02
DAV: 5 -0.142843838636E+04 -0.20095E-05 -0.11079E-04 1048 0.221E-02 0.143E-02
DAV: 6 -0.142843838667E+04 -0.30945E-06 -0.19333E-05 648 0.738E-03
124 F= -.14284384E+04 E0= -.14284538E+04 d E =-.175908E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843807175E+04 0.31461E-03 -0.59570E-01 896 0.127E+00 0.159E-01
DAV: 2 -0.142843911013E+04 -0.10384E-02 -0.12787E-02 968 0.164E-01 0.106E-01
DAV: 3 -0.142843903865E+04 0.71485E-04 -0.26729E-04 1080 0.330E-02 0.622E-02
DAV: 4 -0.142843904112E+04 -0.24714E-05 -0.15981E-04 1032 0.251E-02 0.158E-02
DAV: 5 -0.142843904176E+04 -0.64383E-06 -0.29133E-05 744 0.114E-02
125 F= -.14284390E+04 E0= -.14284545E+04 d E =-.655090E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843851506E+04 0.52606E-03 -0.45618E-01 896 0.111E+00 0.139E-01
DAV: 2 -0.142843931561E+04 -0.80055E-03 -0.97936E-03 968 0.143E-01 0.923E-02
DAV: 3 -0.142843926165E+04 0.53953E-04 -0.20219E-04 1080 0.289E-02 0.544E-02
DAV: 4 -0.142843926394E+04 -0.22886E-05 -0.12055E-04 1032 0.217E-02 0.137E-02
DAV: 5 -0.142843926447E+04 -0.52471E-06 -0.21942E-05 720 0.989E-03
126 F= -.14284393E+04 E0= -.14284547E+04 d E =-.877795E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843904698E+04 0.21697E-03 -0.57216E-01 896 0.124E+00 0.156E-01
DAV: 2 -0.142844002582E+04 -0.97884E-03 -0.12120E-02 968 0.160E-01 0.103E-01
DAV: 3 -0.142843995991E+04 0.65910E-04 -0.25894E-04 1096 0.323E-02 0.607E-02
DAV: 4 -0.142843996378E+04 -0.38744E-05 -0.14988E-04 1024 0.240E-02 0.153E-02
DAV: 5 -0.142843996444E+04 -0.66050E-06 -0.26345E-05 736 0.110E-02
127 F= -.14284400E+04 E0= -.14284554E+04 d E =-.699978E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843914748E+04 0.81631E-03 -0.69612E-01 896 0.137E+00 0.172E-01
DAV: 2 -0.142844033901E+04 -0.11915E-02 -0.14748E-02 968 0.176E-01 0.114E-01
DAV: 3 -0.142844025885E+04 0.80161E-04 -0.31457E-04 1096 0.356E-02 0.670E-02
DAV: 4 -0.142844026361E+04 -0.47579E-05 -0.18250E-04 1024 0.264E-02 0.169E-02
DAV: 5 -0.142844026440E+04 -0.79770E-06 -0.32325E-05 776 0.121E-02
128 F= -.14284403E+04 E0= -.14284557E+04 d E =-.999936E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843974190E+04 0.52171E-03 -0.73506E-01 896 0.141E+00 0.178E-01
DAV: 2 -0.142844099760E+04 -0.12557E-02 -0.15609E-02 968 0.182E-01 0.118E-01
DAV: 3 -0.142844091574E+04 0.81867E-04 -0.34399E-04 1088 0.368E-02 0.695E-02
DAV: 4 -0.142844092091E+04 -0.51790E-05 -0.20277E-04 1008 0.279E-02 0.178E-02
DAV: 5 -0.142844092092E+04 -0.64902E-08 -0.36623E-05 808 0.131E-02
129 F= -.14284409E+04 E0= -.14284564E+04 d E =-.656518E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844087566E+04 0.45258E-04 -0.73349E-02 896 0.446E-01 0.569E-02
DAV: 2 -0.142844100438E+04 -0.12872E-03 -0.15691E-03 968 0.576E-02 0.372E-02
DAV: 3 -0.142844099693E+04 0.74491E-05 -0.31684E-05 888 0.116E-02
130 F= -.14284410E+04 E0= -.14284564E+04 d E =-.732524E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844052049E+04 0.48389E-03 -0.29094E-01 896 0.888E-01 0.114E-01
DAV: 2 -0.142844099642E+04 -0.47594E-03 -0.60365E-03 968 0.114E-01 0.751E-02
DAV: 3 -0.142844096607E+04 0.30350E-04 -0.14245E-04 1088 0.233E-02 0.439E-02
DAV: 4 -0.142844096955E+04 -0.34772E-05 -0.81146E-05 1000 0.177E-02
131 F= -.14284410E+04 E0= -.14284564E+04 d E =-.705148E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844076068E+04 0.20539E-03 -0.16633E-01 896 0.672E-01 0.828E-02
DAV: 2 -0.142844103461E+04 -0.27392E-03 -0.34910E-03 968 0.862E-02 0.558E-02
DAV: 3 -0.142844101384E+04 0.20763E-04 -0.79257E-05 1072 0.171E-02 0.325E-02
DAV: 4 -0.142844101332E+04 0.52111E-06 -0.44131E-05 912 0.131E-02
132 F= -.14284410E+04 E0= -.14284564E+04 d E =-.748920E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844094683E+04 0.67010E-04 -0.41458E-02 896 0.336E-01 0.408E-02
DAV: 2 -0.142844101460E+04 -0.67765E-04 -0.86942E-04 968 0.430E-02 0.277E-02
DAV: 3 -0.142844100910E+04 0.55004E-05 -0.17609E-05 696 0.847E-03
133 F= -.14284410E+04 E0= -.14284564E+04 d E =-.744696E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844049693E+04 0.51767E-03 -0.65844E-01 896 0.133E+00 0.169E-01
DAV: 2 -0.142844159429E+04 -0.10974E-02 -0.13722E-02 968 0.171E-01 0.112E-01
DAV: 3 -0.142844152028E+04 0.74007E-04 -0.30070E-04 1096 0.343E-02 0.648E-02
DAV: 4 -0.142844152482E+04 -0.45368E-05 -0.16729E-04 1024 0.257E-02 0.164E-02
DAV: 5 -0.142844152527E+04 -0.44785E-06 -0.30250E-05 776 0.118E-02
134 F= -.14284415E+04 E0= -.14284570E+04 d E =-.516168E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844105436E+04 0.47046E-03 -0.39208E-01 896 0.103E+00 0.130E-01
DAV: 2 -0.142844172966E+04 -0.67530E-03 -0.83004E-03 968 0.133E-01 0.856E-02
DAV: 3 -0.142844168603E+04 0.43633E-04 -0.17381E-04 1096 0.264E-02 0.500E-02
DAV: 4 -0.142844168878E+04 -0.27561E-05 -0.97374E-05 1024 0.196E-02
135 F= -.14284417E+04 E0= -.14284571E+04 d E =-.679683E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844166243E+04 0.23597E-04 -0.45109E-01 896 0.111E+00 0.141E-01
DAV: 2 -0.142844241289E+04 -0.75047E-03 -0.94152E-03 976 0.143E-01 0.929E-02
DAV: 3 -0.142844236011E+04 0.52784E-04 -0.22488E-04 1088 0.302E-02 0.541E-02
DAV: 4 -0.142844236204E+04 -0.19284E-05 -0.11614E-04 1024 0.214E-02 0.147E-02
DAV: 5 -0.142844236244E+04 -0.39897E-06 -0.20200E-05 680 0.969E-03
136 F= -.14284424E+04 E0= -.14284578E+04 d E =-.673656E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844238797E+04 -0.25928E-04 -0.30986E-02 896 0.290E-01 0.372E-02
DAV: 2 -0.142844244214E+04 -0.54176E-04 -0.65645E-04 984 0.375E-02 0.242E-02
DAV: 3 -0.142844243870E+04 0.34435E-05 -0.12703E-05 672 0.785E-03
137 F= -.14284424E+04 E0= -.14284579E+04 d E =-.749917E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844228555E+04 0.15659E-03 -0.12261E-01 896 0.576E-01 0.742E-02
DAV: 2 -0.142844248229E+04 -0.19674E-03 -0.25016E-03 984 0.734E-02 0.487E-02
DAV: 3 -0.142844246860E+04 0.13688E-04 -0.61000E-05 1056 0.154E-02 0.279E-02
DAV: 4 -0.142844246940E+04 -0.80354E-06 -0.30086E-05 840 0.110E-02
138 F= -.14284425E+04 E0= -.14284579E+04 d E =-.780619E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844243725E+04 0.31344E-04 -0.26572E-02 896 0.269E-01 0.328E-02
DAV: 2 -0.142844247958E+04 -0.42329E-04 -0.54921E-04 968 0.344E-02 0.223E-02
DAV: 3 -0.142844247567E+04 0.39135E-05 -0.11596E-05 640 0.700E-03
139 F= -.14284425E+04 E0= -.14284579E+04 d E =-.786887E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844247057E+04 0.90110E-05 -0.31438E-01 896 0.923E-01 0.116E-01
DAV: 2 -0.142844299154E+04 -0.52097E-03 -0.65957E-03 968 0.119E-01 0.774E-02
DAV: 3 -0.142844295068E+04 0.40859E-04 -0.15533E-04 1088 0.250E-02 0.450E-02
DAV: 4 -0.142844294940E+04 0.12800E-05 -0.84804E-05 1016 0.179E-02
140 F= -.14284429E+04 E0= -.14284583E+04 d E =-.473730E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844297869E+04 -0.28007E-04 -0.10278E-02 896 0.167E-01 0.238E-02
DAV: 2 -0.142844299670E+04 -0.18013E-04 -0.22113E-04 1000 0.220E-02 0.151E-02
DAV: 3 -0.142844299558E+04 0.11176E-05 -0.46259E-06 512 0.519E-03
141 F= -.14284430E+04 E0= -.14284584E+04 d E =-.519912E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844299562E+04 0.10781E-05 -0.39895E-02 896 0.329E-01 0.429E-02
DAV: 2 -0.142844305882E+04 -0.63203E-04 -0.81155E-04 992 0.419E-02 0.282E-02
DAV: 3 -0.142844305415E+04 0.46782E-05 -0.17862E-05 720 0.886E-03
142 F= -.14284431E+04 E0= -.14284584E+04 d E =-.578477E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844314087E+04 -0.82045E-04 -0.23511E-01 896 0.802E-01 0.104E-01
DAV: 2 -0.142844352451E+04 -0.38364E-03 -0.49316E-03 1024 0.104E-01 0.689E-02
DAV: 3 -0.142844349376E+04 0.30752E-04 -0.12293E-04 1080 0.218E-02 0.399E-02
DAV: 4 -0.142844349359E+04 0.16874E-06 -0.66977E-05 984 0.157E-02
143 F= -.14284435E+04 E0= -.14284589E+04 d E =-.439443E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844350462E+04 -0.10865E-04 -0.20787E-03 896 0.753E-02 0.119E-02
DAV: 2 -0.142844350874E+04 -0.41216E-05 -0.48921E-05 880 0.105E-02
144 F= -.14284435E+04 E0= -.14284589E+04 d E =-.454599E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844351505E+04 -0.10423E-04 -0.79089E-03 896 0.147E-01 0.220E-02
DAV: 2 -0.142844352690E+04 -0.11852E-04 -0.16245E-04 1040 0.188E-02 0.146E-02
DAV: 3 -0.142844352571E+04 0.11894E-05 -0.40878E-06 496 0.434E-03
145 F= -.14284435E+04 E0= -.14284589E+04 d E =-.471563E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844355081E+04 -0.23916E-04 -0.20820E-01 896 0.754E-01 0.969E-02
DAV: 2 -0.142844388129E+04 -0.33048E-03 -0.42791E-03 1000 0.975E-02 0.638E-02
DAV: 3 -0.142844385570E+04 0.25589E-04 -0.11199E-04 1088 0.204E-02 0.368E-02
DAV: 4 -0.142844385538E+04 0.31734E-06 -0.54754E-05 984 0.143E-02
146 F= -.14284439E+04 E0= -.14284593E+04 d E =-.329677E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844386365E+04 -0.79476E-05 -0.16052E-03 912 0.661E-02 0.111E-02
DAV: 2 -0.142844386656E+04 -0.29143E-05 -0.36058E-05 760 0.938E-03
147 F= -.14284439E+04 E0= -.14284593E+04 d E =-.340856E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844387253E+04 -0.88771E-05 -0.61145E-03 896 0.129E-01 0.194E-02
DAV: 2 -0.142844388141E+04 -0.88862E-05 -0.12243E-04 1008 0.165E-02 0.128E-02
DAV: 3 -0.142844388062E+04 0.79515E-06 -0.32424E-06 488 0.380E-03
148 F= -.14284439E+04 E0= -.14284593E+04 d E =-.354910E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844399019E+04 -0.10878E-03 -0.14842E-01 896 0.637E-01 0.809E-02
DAV: 2 -0.142844422790E+04 -0.23771E-03 -0.30368E-03 1024 0.821E-02 0.544E-02
DAV: 3 -0.142844420786E+04 0.20037E-04 -0.73925E-05 1072 0.173E-02 0.313E-02
DAV: 4 -0.142844420710E+04 0.76491E-06 -0.40552E-05 920 0.126E-02
149 F= -.14284442E+04 E0= -.14284596E+04 d E =-.326482E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844422349E+04 -0.15629E-04 -0.20981E-02 896 0.239E-01 0.319E-02
DAV: 2 -0.142844425892E+04 -0.35432E-04 -0.43989E-04 1016 0.314E-02 0.209E-02
DAV: 3 -0.142844425628E+04 0.26429E-05 -0.93249E-06 584 0.696E-03
150 F= -.14284443E+04 E0= -.14284596E+04 d E =-.375664E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844412059E+04 0.13833E-03 -0.82471E-02 896 0.475E-01 0.615E-02
DAV: 2 -0.142844424967E+04 -0.12908E-03 -0.16627E-03 1016 0.608E-02 0.409E-02
DAV: 3 -0.142844423918E+04 0.10495E-04 -0.40450E-05 936 0.129E-02 0.234E-02
DAV: 4 -0.142844423908E+04 0.95999E-07 -0.24085E-05 736 0.993E-03
151 F= -.14284442E+04 E0= -.14284595E+04 d E =-.358462E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844422020E+04 0.18980E-04 -0.35133E-02 896 0.310E-01 0.384E-02
DAV: 2 -0.142844427411E+04 -0.53916E-04 -0.71617E-04 1008 0.399E-02 0.263E-02
DAV: 3 -0.142844426838E+04 0.57319E-05 -0.15633E-05 672 0.832E-03
152 F= -.14284443E+04 E0= -.14284595E+04 d E =-.387762E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844437929E+04 -0.10518E-03 -0.79032E-02 896 0.464E-01 0.575E-02
DAV: 2 -0.142844451015E+04 -0.13086E-03 -0.16592E-03 992 0.602E-02 0.387E-02
DAV: 3 -0.142844449850E+04 0.11647E-04 -0.36778E-05 912 0.125E-02 0.222E-02
DAV: 4 -0.142844449751E+04 0.99787E-06 -0.21191E-05 640 0.920E-03
153 F= -.14284445E+04 E0= -.14284598E+04 d E =-.229126E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844444900E+04 0.49506E-04 -0.12967E-01 896 0.594E-01 0.765E-02
DAV: 2 -0.142844465927E+04 -0.21027E-03 -0.26565E-03 1000 0.761E-02 0.504E-02
DAV: 3 -0.142844464293E+04 0.16336E-04 -0.62446E-05 1064 0.160E-02 0.288E-02
DAV: 4 -0.142844464298E+04 -0.47490E-07 -0.33612E-05 864 0.114E-02
154 F= -.14284446E+04 E0= -.14284599E+04 d E =-.374599E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844482649E+04 -0.18355E-03 -0.69584E-02 896 0.437E-01 0.579E-02
DAV: 2 -0.142844493976E+04 -0.11327E-03 -0.14704E-03 1024 0.577E-02 0.379E-02
DAV: 3 -0.142844493006E+04 0.96961E-05 -0.36886E-05 920 0.125E-02
155 F= -.14284449E+04 E0= -.14284602E+04 d E =-.287084E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844481502E+04 0.12474E-03 -0.15796E-01 896 0.659E-01 0.888E-02
DAV: 2 -0.142844505524E+04 -0.24022E-03 -0.32243E-03 1024 0.857E-02 0.579E-02
DAV: 3 -0.142844503433E+04 0.20910E-04 -0.90672E-05 1080 0.187E-02 0.328E-02
DAV: 4 -0.142844503426E+04 0.73785E-07 -0.46940E-05 968 0.132E-02
156 F= -.14284450E+04 E0= -.14284604E+04 d E =-.391278E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844501906E+04 0.15269E-04 -0.18162E-02 896 0.224E-01 0.282E-02
DAV: 2 -0.142844504598E+04 -0.26920E-04 -0.37422E-04 1016 0.291E-02 0.191E-02
DAV: 3 -0.142844504283E+04 0.31476E-05 -0.91735E-06 552 0.618E-03
157 F= -.14284450E+04 E0= -.14284604E+04 d E =-.399854E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844515922E+04 -0.11324E-03 -0.69307E-02 896 0.435E-01 0.557E-02
DAV: 2 -0.142844527087E+04 -0.11165E-03 -0.14608E-03 1008 0.572E-02 0.372E-02
DAV: 3 -0.142844525995E+04 0.10923E-04 -0.35544E-05 904 0.122E-02 0.216E-02
DAV: 4 -0.142844525903E+04 0.92620E-06 -0.21134E-05 632 0.905E-03
158 F= -.14284453E+04 E0= -.14284606E+04 d E =-.216192E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844526103E+04 -0.10796E-05 -0.52661E-02 896 0.379E-01 0.506E-02
DAV: 2 -0.142844534545E+04 -0.84415E-04 -0.10980E-03 1008 0.497E-02 0.330E-02
DAV: 3 -0.142844533808E+04 0.73633E-05 -0.26729E-05 832 0.108E-02
159 F= -.14284453E+04 E0= -.14284607E+04 d E =-.295250E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844546320E+04 -0.11775E-03 -0.77397E-02 896 0.462E-01 0.625E-02
DAV: 2 -0.142844558402E+04 -0.12082E-03 -0.16052E-03 1024 0.602E-02 0.408E-02
DAV: 3 -0.142844557345E+04 0.10576E-04 -0.43534E-05 976 0.130E-02 0.230E-02
DAV: 4 -0.142844557336E+04 0.81985E-07 -0.22225E-05 656 0.973E-03
160 F= -.14284456E+04 E0= -.14284609E+04 d E =-.235282E-03