./iterations/neb0_image07_iter278_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 0.375204928354E+03 0.37520E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.466626495782E+01 -0.37054E+03 -0.35928E+03 866 0.195E+02
DAV: 3 -0.964613849462E+02 -0.10113E+03 -0.10082E+03 664 0.117E+02
DAV: 4 -0.101209632434E+03 -0.47482E+01 -0.47365E+01 704 0.295E+01
DAV: 5 -0.101302930474E+03 -0.93298E-01 -0.93253E-01 728 0.374E+00 0.227E+01
DAV: 6 -0.926311992865E+02 0.86717E+01 -0.30991E+01 720 0.300E+01 0.119E+01
DAV: 7 -0.917582454689E+02 0.87295E+00 -0.17103E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.913798239445E+02 0.37842E+00 -0.55017E-01 728 0.400E+00 0.161E+00
DAV: 9 -0.912972816180E+02 0.82542E-01 -0.12748E-01 736 0.152E+00 0.423E-01
DAV: 10 -0.912880127990E+02 0.92688E-02 -0.43470E-02 725 0.105E+00 0.297E-01
DAV: 11 -0.912929091777E+02 -0.48964E-02 -0.12765E-02 610 0.573E-01 0.150E-01
DAV: 12 -0.912962352371E+02 -0.33261E-02 -0.31084E-03 609 0.239E-01 0.110E-01
DAV: 13 -0.913000291359E+02 -0.37939E-02 -0.20895E-03 702 0.245E-01 0.496E-02
DAV: 14 -0.913033165232E+02 -0.32874E-02 -0.73062E-04 653 0.161E-01 0.287E-02
DAV: 15 -0.913046863515E+02 -0.13698E-02 -0.17449E-04 680 0.736E-02 0.234E-02
DAV: 16 -0.913057166346E+02 -0.10303E-02 -0.21845E-04 693 0.942E-02 0.173E-02
DAV: 17 -0.913061905451E+02 -0.47391E-03 -0.47824E-05 674 0.429E-02 0.133E-02
DAV: 18 -0.913063645458E+02 -0.17400E-03 -0.33732E-05 656 0.311E-02 0.664E-03
DAV: 19 -0.913065268815E+02 -0.16234E-03 -0.14708E-05 452 0.159E-02 0.228E-03
DAV: 20 -0.913065653326E+02 -0.38451E-04 -0.48840E-06 496 0.853E-03 0.148E-03
DAV: 21 -0.913065843079E+02 -0.18975E-04 -0.27665E-06 400 0.611E-03 0.103E-03
DAV: 22 -0.913065849800E+02 -0.67208E-06 -0.49852E-07 536 0.278E-03
1 F= -.91306585E+02 E0= -.91311176E+02 d E =0.137726E-01