./iterations/neb0_image08_iter82_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 0.376133545206E+03 0.37613E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.375651971831E+01 -0.37238E+03 -0.35895E+03 869 0.196E+02
DAV: 3 -0.967309636561E+02 -0.10049E+03 -0.10015E+03 688 0.117E+02
DAV: 4 -0.101127528060E+03 -0.43966E+01 -0.43865E+01 688 0.276E+01
DAV: 5 -0.101214806257E+03 -0.87278E-01 -0.87240E-01 728 0.347E+00 0.227E+01
DAV: 6 -0.925847913392E+02 0.86300E+01 -0.30779E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.917147469226E+02 0.87004E+00 -0.16899E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913345247051E+02 0.38022E+00 -0.55743E-01 704 0.402E+00 0.163E+00
DAV: 9 -0.912511208220E+02 0.83404E-01 -0.13022E-01 704 0.155E+00 0.427E-01
DAV: 10 -0.912416810766E+02 0.94397E-02 -0.47427E-02 720 0.113E+00 0.309E-01
DAV: 11 -0.912464210415E+02 -0.47400E-02 -0.14243E-02 624 0.616E-01 0.159E-01
DAV: 12 -0.912493439359E+02 -0.29229E-02 -0.32468E-03 626 0.252E-01 0.129E-01
DAV: 13 -0.912530608070E+02 -0.37169E-02 -0.18935E-03 741 0.252E-01 0.452E-02
DAV: 14 -0.912562445824E+02 -0.31838E-02 -0.56616E-04 648 0.120E-01 0.416E-02
DAV: 15 -0.912582629158E+02 -0.20183E-02 -0.17105E-04 664 0.656E-02 0.382E-02
DAV: 16 -0.912594390885E+02 -0.11762E-02 -0.41002E-04 642 0.102E-01 0.237E-02
DAV: 17 -0.912597223457E+02 -0.28326E-03 -0.73395E-05 696 0.617E-02 0.129E-02
DAV: 18 -0.912599670877E+02 -0.24474E-03 -0.49131E-05 626 0.309E-02 0.121E-02
DAV: 19 -0.912600139106E+02 -0.46823E-04 -0.71555E-06 496 0.208E-02 0.578E-03
DAV: 20 -0.912600522889E+02 -0.38378E-04 -0.17646E-05 410 0.263E-02 0.507E-03
DAV: 21 -0.912600728664E+02 -0.20577E-04 -0.35259E-06 472 0.110E-02 0.379E-03
DAV: 22 -0.912600813378E+02 -0.84714E-05 -0.34295E-06 410 0.116E-02
1 F= -.91260081E+02 E0= -.91265105E+02 d E =0.150717E-01