iterations/neb0_image03_iter184_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 0.364398948321E+03 0.36440E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.152314279112E+00 -0.36425E+03 -0.35412E+03 858 0.195E+02
DAV: 3 -0.960762553224E+02 -0.96229E+02 -0.95917E+02 672 0.115E+02
DAV: 4 -0.100268074643E+03 -0.41918E+01 -0.41805E+01 720 0.274E+01
DAV: 5 -0.100350399260E+03 -0.82325E-01 -0.82288E-01 736 0.345E+00 0.222E+01
DAV: 6 -0.917258699509E+02 0.86245E+01 -0.30918E+01 672 0.298E+01 0.117E+01
DAV: 7 -0.908795467390E+02 0.84632E+00 -0.18039E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904838959561E+02 0.39565E+00 -0.54837E-01 704 0.422E+00 0.170E+00
DAV: 9 -0.903868972910E+02 0.96999E-01 -0.12829E-01 720 0.198E+00 0.447E-01
DAV: 10 -0.903793540899E+02 0.75432E-02 -0.43708E-02 712 0.114E+00 0.344E-01
DAV: 11 -0.903828656345E+02 -0.35115E-02 -0.12454E-02 608 0.750E-01 0.155E-01
DAV: 12 -0.903846702704E+02 -0.18046E-02 -0.51274E-03 640 0.456E-01 0.123E-01
DAV: 13 -0.903892176641E+02 -0.45474E-02 -0.46657E-03 684 0.434E-01 0.950E-02
DAV: 14 -0.903922801333E+02 -0.30625E-02 -0.89026E-04 744 0.192E-01 0.500E-02
DAV: 15 -0.903947689161E+02 -0.24888E-02 -0.62824E-04 653 0.120E-01 0.236E-02
DAV: 16 -0.903965377372E+02 -0.17688E-02 -0.15600E-04 669 0.642E-02 0.191E-02
DAV: 17 -0.903976321741E+02 -0.10944E-02 -0.18046E-04 709 0.856E-02 0.136E-02
DAV: 18 -0.903981039496E+02 -0.47178E-03 -0.65896E-05 669 0.411E-02 0.125E-02
DAV: 19 -0.903981843896E+02 -0.80440E-04 -0.11680E-05 512 0.253E-02 0.588E-03
DAV: 20 -0.903983227369E+02 -0.13835E-03 -0.43503E-05 545 0.338E-02 0.863E-03
DAV: 21 -0.903983426857E+02 -0.19949E-04 -0.27865E-06 504 0.136E-02 0.698E-03
DAV: 22 -0.903983511852E+02 -0.84994E-05 -0.49215E-06 456 0.139E-02
1 F= -.90398351E+02 E0= -.90405798E+02 d E =0.223403E-01