./iterations/neb0_image09_iter222_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 0.373946498809E+03 0.37395E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.329227306287E+01 -0.37065E+03 -0.35806E+03 869 0.196E+02
DAV: 3 -0.967139967746E+02 -0.10001E+03 -0.99677E+02 661 0.117E+02
DAV: 4 -0.101246974686E+03 -0.45330E+01 -0.45223E+01 720 0.287E+01
DAV: 5 -0.101336068139E+03 -0.89093E-01 -0.89052E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926719702051E+02 0.86641E+01 -0.30990E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.918083839836E+02 0.86359E+00 -0.17170E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914334919371E+02 0.37489E+00 -0.54448E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913527568418E+02 0.80735E-01 -0.13177E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913446459759E+02 0.81109E-02 -0.43595E-02 752 0.108E+00 0.299E-01
DAV: 11 -0.913489634176E+02 -0.43174E-02 -0.11530E-02 608 0.557E-01 0.131E-01
DAV: 12 -0.913522642772E+02 -0.33009E-02 -0.28559E-03 623 0.244E-01 0.108E-01
DAV: 13 -0.913556711774E+02 -0.34069E-02 -0.11299E-03 658 0.186E-01 0.435E-02
DAV: 14 -0.913588861761E+02 -0.32150E-02 -0.76169E-04 664 0.147E-01 0.394E-02
DAV: 15 -0.913601894462E+02 -0.13033E-02 -0.13702E-04 752 0.822E-02 0.325E-02
DAV: 16 -0.913617034024E+02 -0.15140E-02 -0.32512E-04 645 0.859E-02 0.167E-02
DAV: 17 -0.913621621102E+02 -0.45871E-03 -0.65624E-05 680 0.531E-02 0.123E-02
DAV: 18 -0.913624029605E+02 -0.24085E-03 -0.42577E-05 565 0.286E-02 0.903E-03
DAV: 19 -0.913624405771E+02 -0.37617E-04 -0.67431E-06 512 0.161E-02 0.435E-03
DAV: 20 -0.913624707562E+02 -0.30179E-04 -0.79487E-06 418 0.175E-02 0.201E-03
DAV: 21 -0.913624824851E+02 -0.11729E-04 -0.21875E-06 472 0.726E-03 0.250E-03
DAV: 22 -0.913624870354E+02 -0.45504E-05 -0.53784E-07 448 0.466E-03
1 F= -.91362487E+02 E0= -.91367187E+02 d E =0.140993E-01