./iterations/neb0_image05_iter57_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.373021121363E+03 0.37302E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.409811699066E+01 -0.36892E+03 -0.35689E+03 874 0.195E+02
DAV: 3 -0.937321744501E+02 -0.97830E+02 -0.97480E+02 640 0.116E+02
DAV: 4 -0.984598120202E+02 -0.47276E+01 -0.47137E+01 728 0.299E+01
DAV: 5 -0.985612552592E+02 -0.10144E+00 -0.10140E+00 720 0.390E+00 0.218E+01
DAV: 6 -0.903335294748E+02 0.82277E+01 -0.28763E+01 712 0.290E+01 0.112E+01
DAV: 7 -0.894890855440E+02 0.84444E+00 -0.17534E+00 720 0.654E+00 0.466E+00
DAV: 8 -0.891110458265E+02 0.37804E+00 -0.60235E-01 696 0.431E+00 0.156E+00
DAV: 9 -0.890257808907E+02 0.85265E-01 -0.12583E-01 712 0.158E+00 0.433E-01
DAV: 10 -0.890148872679E+02 0.10894E-01 -0.40103E-02 733 0.107E+00 0.311E-01
DAV: 11 -0.890171931696E+02 -0.23059E-02 -0.89902E-03 624 0.532E-01 0.123E-01
DAV: 12 -0.890196159231E+02 -0.24228E-02 -0.25080E-03 690 0.269E-01 0.985E-02
DAV: 13 -0.890246792830E+02 -0.50634E-02 -0.13601E-03 631 0.237E-01 0.694E-02
DAV: 14 -0.890276573987E+02 -0.29781E-02 -0.91730E-04 674 0.147E-01 0.338E-02
DAV: 15 -0.890303836167E+02 -0.27262E-02 -0.41717E-04 685 0.112E-01 0.240E-02
DAV: 16 -0.890315706846E+02 -0.11871E-02 -0.88459E-05 701 0.543E-02 0.123E-02
DAV: 17 -0.890324774275E+02 -0.90674E-03 -0.15252E-04 671 0.607E-02 0.152E-02
DAV: 18 -0.890326896646E+02 -0.21224E-03 -0.54113E-05 768 0.572E-02 0.928E-03
DAV: 19 -0.890327512210E+02 -0.61556E-04 -0.14453E-05 472 0.251E-02 0.670E-03
DAV: 20 -0.890328499486E+02 -0.98728E-04 -0.24967E-05 483 0.275E-02 0.520E-03
DAV: 21 -0.890328822099E+02 -0.32261E-04 -0.44782E-06 480 0.153E-02 0.313E-03
DAV: 22 -0.890328927051E+02 -0.10495E-04 -0.57180E-06 480 0.139E-02 0.262E-03
DAV: 23 -0.890328954509E+02 -0.27458E-05 -0.81480E-07 472 0.700E-03
1 F= -.89032895E+02 E0= -.89036768E+02 d E =0.116187E-01