./iterations/neb0_image03_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 0.363778797805E+03 0.36378E+03 -0.14327E+04 632 0.799E+02
DAV: 2 -0.187252556743E+00 -0.36397E+03 -0.35423E+03 855 0.195E+02
DAV: 3 -0.961170424903E+02 -0.95930E+02 -0.95621E+02 672 0.115E+02
DAV: 4 -0.100313738714E+03 -0.41967E+01 -0.41857E+01 712 0.273E+01
DAV: 5 -0.100396446135E+03 -0.82707E-01 -0.82673E-01 736 0.343E+00 0.223E+01
DAV: 6 -0.917393625865E+02 0.86571E+01 -0.31080E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908894097957E+02 0.84995E+00 -0.18063E+00 720 0.635E+00 0.485E+00
DAV: 8 -0.904929282738E+02 0.39648E+00 -0.56753E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903995062284E+02 0.93422E-01 -0.13289E-01 720 0.168E+00 0.437E-01
DAV: 10 -0.903920831122E+02 0.74231E-02 -0.51690E-02 704 0.127E+00 0.344E-01
DAV: 11 -0.903964083399E+02 -0.43252E-02 -0.90919E-03 624 0.639E-01 0.122E-01
DAV: 12 -0.903996802552E+02 -0.32719E-02 -0.59978E-03 621 0.354E-01 0.130E-01
DAV: 13 -0.904034374253E+02 -0.37572E-02 -0.19096E-03 901 0.347E-01 0.887E-02
DAV: 14 -0.904065945057E+02 -0.31571E-02 -0.12226E-03 661 0.169E-01 0.646E-02
DAV: 15 -0.904087504400E+02 -0.21559E-02 -0.32686E-04 656 0.954E-02 0.347E-02
DAV: 16 -0.904105283146E+02 -0.17779E-02 -0.58310E-04 661 0.132E-01 0.332E-02
DAV: 17 -0.904111199751E+02 -0.59166E-03 -0.14200E-04 880 0.824E-02 0.142E-02
DAV: 18 -0.904115395952E+02 -0.41962E-03 -0.91377E-05 645 0.485E-02 0.936E-03
DAV: 19 -0.904116633351E+02 -0.12374E-03 -0.92975E-06 488 0.166E-02 0.699E-03
DAV: 20 -0.904117320672E+02 -0.68732E-04 -0.19966E-05 501 0.263E-02 0.355E-03
DAV: 21 -0.904117651851E+02 -0.33118E-04 -0.35064E-06 480 0.120E-02 0.251E-03
DAV: 22 -0.904117830467E+02 -0.17862E-04 -0.42255E-06 421 0.103E-02 0.162E-03
DAV: 23 -0.904117855768E+02 -0.25301E-05 -0.70546E-07 528 0.511E-03
1 F= -.90411786E+02 E0= -.90418756E+02 d E =0.209112E-01