./iterations/neb0_image04_iter223_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 0.368950082454E+03 0.36895E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.174496682865E+01 -0.36721E+03 -0.35564E+03 869 0.195E+02
DAV: 3 -0.960554767156E+02 -0.97800E+02 -0.97509E+02 661 0.116E+02
DAV: 4 -0.100327768242E+03 -0.42723E+01 -0.42635E+01 704 0.279E+01
DAV: 5 -0.100410797849E+03 -0.83030E-01 -0.82996E-01 736 0.348E+00 0.224E+01
DAV: 6 -0.916823071824E+02 0.87285E+01 -0.31159E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908130840841E+02 0.86922E+00 -0.17844E+00 704 0.645E+00 0.484E+00
DAV: 8 -0.904005916772E+02 0.41249E+00 -0.55057E-01 704 0.448E+00 0.175E+00
DAV: 9 -0.903094326852E+02 0.91159E-01 -0.14614E-01 728 0.206E+00 0.554E-01
DAV: 10 -0.902956515833E+02 0.13781E-01 -0.36522E-02 696 0.996E-01 0.349E-01
DAV: 11 -0.902974315201E+02 -0.17799E-02 -0.11845E-02 717 0.584E-01 0.243E-01
DAV: 12 -0.903000070340E+02 -0.25755E-02 -0.31130E-03 677 0.516E-01 0.141E-01
DAV: 13 -0.903032467510E+02 -0.32397E-02 -0.25147E-03 628 0.342E-01 0.101E-01
DAV: 14 -0.903076885353E+02 -0.44418E-02 -0.24350E-03 620 0.272E-01 0.556E-02
DAV: 15 -0.903093866911E+02 -0.16982E-02 -0.37230E-04 680 0.986E-02 0.500E-02
DAV: 16 -0.903119000749E+02 -0.25134E-02 -0.85676E-04 722 0.203E-01 0.373E-02
DAV: 17 -0.903127718292E+02 -0.87175E-03 -0.16316E-04 680 0.755E-02 0.359E-02
DAV: 18 -0.903134238070E+02 -0.65198E-03 -0.15475E-04 719 0.713E-02 0.217E-02
DAV: 19 -0.903136973664E+02 -0.27356E-03 -0.65958E-05 672 0.518E-02 0.923E-03
DAV: 20 -0.903139003084E+02 -0.20294E-03 -0.25364E-05 511 0.252E-02 0.737E-03
DAV: 21 -0.903139817892E+02 -0.81481E-04 -0.69687E-06 471 0.124E-02 0.546E-03
DAV: 22 -0.903140332586E+02 -0.51469E-04 -0.11904E-05 426 0.183E-02 0.175E-03
DAV: 23 -0.903140416675E+02 -0.84089E-05 -0.24124E-06 504 0.748E-03
1 F= -.90314042E+02 E0= -.90322382E+02 d E =0.250212E-01