iterations/neb0_image02_iter12_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 0.364620380313E+03 0.36462E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.327998948196E+01 -0.36134E+03 -0.34833E+03 847 0.195E+02
DAV: 3 -0.953841480489E+02 -0.98664E+02 -0.98325E+02 696 0.116E+02
DAV: 4 -0.997351890701E+02 -0.43510E+01 -0.43410E+01 704 0.269E+01
DAV: 5 -0.998205991841E+02 -0.85410E-01 -0.85364E-01 728 0.335E+00 0.220E+01
DAV: 6 -0.911718578683E+02 0.86487E+01 -0.31254E+01 712 0.300E+01 0.115E+01
DAV: 7 -0.903767306411E+02 0.79513E+00 -0.17717E+00 712 0.631E+00 0.480E+00
DAV: 8 -0.899975519937E+02 0.37918E+00 -0.57372E-01 704 0.433E+00 0.168E+00
DAV: 9 -0.899092933617E+02 0.88259E-01 -0.13513E-01 736 0.162E+00 0.436E-01
DAV: 10 -0.899027668593E+02 0.65265E-02 -0.40394E-02 720 0.109E+00 0.308E-01
DAV: 11 -0.899066459501E+02 -0.38791E-02 -0.61771E-03 648 0.511E-01 0.118E-01
DAV: 12 -0.899097791145E+02 -0.31332E-02 -0.46008E-03 632 0.325E-01 0.117E-01
DAV: 13 -0.899133422453E+02 -0.35631E-02 -0.19823E-03 817 0.350E-01 0.801E-02
DAV: 14 -0.899157861065E+02 -0.24439E-02 -0.82347E-04 685 0.139E-01 0.523E-02
DAV: 15 -0.899180363016E+02 -0.22502E-02 -0.53996E-04 672 0.134E-01 0.253E-02
DAV: 16 -0.899193266887E+02 -0.12904E-02 -0.16226E-04 733 0.728E-02 0.229E-02
DAV: 17 -0.899198276752E+02 -0.50099E-03 -0.63372E-05 744 0.566E-02 0.143E-02
DAV: 18 -0.899203305591E+02 -0.50288E-03 -0.89033E-05 658 0.454E-02 0.116E-02
DAV: 19 -0.899204648940E+02 -0.13433E-03 -0.20821E-05 549 0.382E-02 0.486E-03
DAV: 20 -0.899205433065E+02 -0.78413E-04 -0.19094E-05 506 0.213E-02 0.578E-03
DAV: 21 -0.899205838889E+02 -0.40582E-04 -0.43498E-06 453 0.106E-02 0.348E-03
DAV: 22 -0.899206082253E+02 -0.24336E-04 -0.86907E-06 444 0.177E-02 0.294E-03
DAV: 23 -0.899206100105E+02 -0.17853E-05 -0.13569E-06 536 0.802E-03
1 F= -.89920610E+02 E0= -.89927745E+02 d E =0.214047E-01