iterations/neb0_image04_iter181_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 0.363476124566E+03 0.36348E+03 -0.14357E+04 640 0.799E+02
DAV: 2 0.922202409906E+00 -0.36255E+03 -0.34970E+03 863 0.193E+02
DAV: 3 -0.959802283192E+02 -0.96902E+02 -0.96604E+02 661 0.115E+02
DAV: 4 -0.100259897913E+03 -0.42797E+01 -0.42695E+01 696 0.280E+01
DAV: 5 -0.100341381517E+03 -0.81484E-01 -0.81450E-01 736 0.350E+00 0.223E+01
DAV: 6 -0.916341645630E+02 0.87072E+01 -0.31013E+01 679 0.297E+01 0.117E+01
DAV: 7 -0.907703870614E+02 0.86378E+00 -0.17793E+00 704 0.631E+00 0.483E+00
DAV: 8 -0.903618860210E+02 0.40850E+00 -0.56405E-01 704 0.433E+00 0.168E+00
DAV: 9 -0.902694543597E+02 0.92432E-01 -0.12264E-01 720 0.205E+00 0.513E-01
DAV: 10 -0.902579263880E+02 0.11528E-01 -0.33694E-02 720 0.932E-01 0.358E-01
DAV: 11 -0.902599956945E+02 -0.20693E-02 -0.13978E-02 688 0.832E-01 0.298E-01
DAV: 12 -0.902609977123E+02 -0.10020E-02 -0.41954E-03 752 0.627E-01 0.123E-01
DAV: 13 -0.902654636317E+02 -0.44659E-02 -0.38148E-03 620 0.332E-01 0.102E-01
DAV: 14 -0.902688068840E+02 -0.33433E-02 -0.71482E-04 640 0.170E-01 0.558E-02
DAV: 15 -0.902723321886E+02 -0.35253E-02 -0.86579E-04 658 0.171E-01 0.342E-02
DAV: 16 -0.902739777135E+02 -0.16455E-02 -0.18892E-04 720 0.101E-01 0.207E-02
DAV: 17 -0.902754768205E+02 -0.14991E-02 -0.29616E-04 652 0.818E-02 0.228E-02
DAV: 18 -0.902757447748E+02 -0.26795E-03 -0.45176E-05 680 0.542E-02 0.115E-02
DAV: 19 -0.902760577803E+02 -0.31301E-03 -0.12298E-04 638 0.619E-02 0.173E-02
DAV: 20 -0.902760883466E+02 -0.30566E-04 -0.83724E-06 528 0.282E-02 0.117E-02
DAV: 21 -0.902761490889E+02 -0.60742E-04 -0.48363E-05 609 0.413E-02 0.609E-03
DAV: 22 -0.902761890831E+02 -0.39994E-04 -0.54987E-06 452 0.146E-02 0.500E-03
DAV: 23 -0.902761986896E+02 -0.96065E-05 -0.14552E-06 504 0.579E-03
1 F= -.90276199E+02 E0= -.90284682E+02 d E =0.254494E-01