iterations/neb0_image06_iter220_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 0.370879150981E+03 0.37088E+03 -0.14352E+04 640 0.799E+02
DAV: 2 0.364929619922E+01 -0.36723E+03 -0.35520E+03 869 0.193E+02
DAV: 3 -0.955571204400E+02 -0.99206E+02 -0.98861E+02 656 0.116E+02
DAV: 4 -0.100333343425E+03 -0.47762E+01 -0.47618E+01 728 0.290E+01
DAV: 5 -0.100432211477E+03 -0.98868E-01 -0.98819E-01 736 0.372E+00 0.226E+01
DAV: 6 -0.918562806033E+02 0.85759E+01 -0.30327E+01 704 0.301E+01 0.118E+01
DAV: 7 -0.910168007762E+02 0.83948E+00 -0.17599E+00 712 0.630E+00 0.481E+00
DAV: 8 -0.906385520599E+02 0.37825E+00 -0.56538E-01 704 0.419E+00 0.166E+00
DAV: 9 -0.905501260578E+02 0.88426E-01 -0.12875E-01 712 0.160E+00 0.429E-01
DAV: 10 -0.905400342617E+02 0.10092E-01 -0.35368E-02 744 0.931E-01 0.284E-01
DAV: 11 -0.905441447512E+02 -0.41105E-02 -0.96510E-03 602 0.510E-01 0.151E-01
DAV: 12 -0.905466658538E+02 -0.25211E-02 -0.28353E-03 632 0.306E-01 0.823E-02
DAV: 13 -0.905505643934E+02 -0.38985E-02 -0.17353E-03 633 0.193E-01 0.706E-02
DAV: 14 -0.905539715160E+02 -0.34071E-02 -0.10826E-03 720 0.237E-01 0.396E-02
DAV: 15 -0.905558080407E+02 -0.18365E-02 -0.29604E-04 717 0.101E-01 0.371E-02
DAV: 16 -0.905574252385E+02 -0.16172E-02 -0.37885E-04 698 0.114E-01 0.187E-02
DAV: 17 -0.905581428204E+02 -0.71758E-03 -0.10936E-04 685 0.582E-02 0.128E-02
DAV: 18 -0.905583642375E+02 -0.22142E-03 -0.21613E-05 544 0.198E-02 0.844E-03
DAV: 19 -0.905584980052E+02 -0.13377E-03 -0.22916E-05 484 0.251E-02 0.207E-03
DAV: 20 -0.905585248160E+02 -0.26811E-04 -0.62785E-06 480 0.127E-02 0.379E-03
DAV: 21 -0.905585347214E+02 -0.99054E-05 -0.14143E-06 404 0.576E-03
1 F= -.90558535E+02 E0= -.90563509E+02 d E =0.149235E-01