./iterations/neb0_image04_iter219_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 0.368656586766E+03 0.36866E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.170277210273E+01 -0.36695E+03 -0.35535E+03 869 0.195E+02
DAV: 3 -0.960407350864E+02 -0.97744E+02 -0.97452E+02 661 0.116E+02
DAV: 4 -0.100317282618E+03 -0.42765E+01 -0.42677E+01 704 0.279E+01
DAV: 5 -0.100400534198E+03 -0.83252E-01 -0.83217E-01 736 0.349E+00 0.224E+01
DAV: 6 -0.916802576330E+02 0.87203E+01 -0.31170E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908114300316E+02 0.86883E+00 -0.17789E+00 712 0.646E+00 0.484E+00
DAV: 8 -0.903981755634E+02 0.41325E+00 -0.55101E-01 696 0.447E+00 0.175E+00
DAV: 9 -0.903068973427E+02 0.91278E-01 -0.15114E-01 728 0.202E+00 0.543E-01
DAV: 10 -0.902939260295E+02 0.12971E-01 -0.35213E-02 696 0.986E-01 0.343E-01
DAV: 11 -0.902956454503E+02 -0.17194E-02 -0.11047E-02 717 0.535E-01 0.214E-01
DAV: 12 -0.902986778896E+02 -0.30324E-02 -0.27942E-03 677 0.433E-01 0.137E-01
DAV: 13 -0.903018092753E+02 -0.31314E-02 -0.21096E-03 628 0.329E-01 0.104E-01
DAV: 14 -0.903062306037E+02 -0.44213E-02 -0.27727E-03 646 0.308E-01 0.576E-02
DAV: 15 -0.903076356085E+02 -0.14050E-02 -0.33679E-04 688 0.105E-01 0.478E-02
DAV: 16 -0.903102620847E+02 -0.26265E-02 -0.10683E-03 748 0.223E-01 0.447E-02
DAV: 17 -0.903109620743E+02 -0.69999E-03 -0.17095E-04 696 0.836E-02 0.384E-02
DAV: 18 -0.903116183988E+02 -0.65632E-03 -0.18426E-04 735 0.773E-02 0.168E-02
DAV: 19 -0.903120095888E+02 -0.39119E-03 -0.92433E-05 706 0.570E-02 0.116E-02
DAV: 20 -0.903121987836E+02 -0.18919E-03 -0.15628E-05 466 0.198E-02 0.994E-03
DAV: 21 -0.903122872500E+02 -0.88466E-04 -0.13572E-05 488 0.183E-02 0.421E-03
DAV: 22 -0.903123382153E+02 -0.50965E-04 -0.12400E-05 431 0.191E-02 0.307E-03
DAV: 23 -0.903123456397E+02 -0.74244E-05 -0.22055E-06 512 0.730E-03
1 F= -.90312346E+02 E0= -.90320640E+02 d E =0.248831E-01