./iterations/neb0_image04_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 0.366546411082E+03 0.36655E+03 -0.14310E+04 624 0.799E+02
DAV: 2 0.102428811370E+01 -0.36552E+03 -0.35382E+03 858 0.195E+02
DAV: 3 -0.960288515017E+02 -0.97053E+02 -0.96759E+02 653 0.116E+02
DAV: 4 -0.100401019156E+03 -0.43722E+01 -0.43635E+01 696 0.282E+01
DAV: 5 -0.100487490247E+03 -0.86471E-01 -0.86442E-01 728 0.353E+00 0.225E+01
DAV: 6 -0.916975450997E+02 0.87899E+01 -0.31513E+01 685 0.301E+01 0.118E+01
DAV: 7 -0.908383038433E+02 0.85924E+00 -0.18453E+00 720 0.661E+00 0.486E+00
DAV: 8 -0.904272840062E+02 0.41102E+00 -0.54292E-01 696 0.456E+00 0.181E+00
DAV: 9 -0.903373377961E+02 0.89946E-01 -0.15674E-01 720 0.220E+00 0.607E-01
DAV: 10 -0.903205599080E+02 0.16778E-01 -0.37419E-02 712 0.104E+00 0.363E-01
DAV: 11 -0.903227010609E+02 -0.21412E-02 -0.16382E-02 720 0.689E-01 0.303E-01
DAV: 12 -0.903247362969E+02 -0.20352E-02 -0.41554E-03 696 0.623E-01 0.180E-01
DAV: 13 -0.903277662862E+02 -0.30300E-02 -0.39558E-03 677 0.436E-01 0.115E-01
DAV: 14 -0.903308298893E+02 -0.30636E-02 -0.18743E-03 623 0.253E-01 0.637E-02
DAV: 15 -0.903340396602E+02 -0.32098E-02 -0.12324E-03 634 0.179E-01 0.706E-02
DAV: 16 -0.903360675406E+02 -0.20279E-02 -0.61444E-04 864 0.216E-01 0.429E-02
DAV: 17 -0.903374516492E+02 -0.13841E-02 -0.37557E-04 644 0.919E-02 0.410E-02
DAV: 18 -0.903379506476E+02 -0.49900E-03 -0.90765E-05 800 0.740E-02 0.224E-02
DAV: 19 -0.903383008278E+02 -0.35018E-03 -0.14602E-04 632 0.757E-02 0.155E-02
DAV: 20 -0.903384572984E+02 -0.15647E-03 -0.18335E-05 541 0.265E-02 0.121E-02
DAV: 21 -0.903385410631E+02 -0.83765E-04 -0.21992E-05 533 0.260E-02 0.655E-03
DAV: 22 -0.903385902700E+02 -0.49207E-04 -0.67152E-06 420 0.142E-02 0.203E-03
DAV: 23 -0.903386019714E+02 -0.11701E-04 -0.29081E-06 488 0.778E-03 0.206E-03
DAV: 24 -0.903386056595E+02 -0.36881E-05 -0.58847E-07 442 0.471E-03
1 F= -.90338606E+02 E0= -.90346688E+02 d E =0.242481E-01