iterations/neb0_image07_iter123_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 0.376315052608E+03 0.37632E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.408145076359E+01 -0.37223E+03 -0.35862E+03 869 0.196E+02
DAV: 3 -0.963336399851E+02 -0.10042E+03 -0.10008E+03 664 0.117E+02
DAV: 4 -0.100998114175E+03 -0.46645E+01 -0.46526E+01 696 0.288E+01
DAV: 5 -0.101092293974E+03 -0.94180E-01 -0.94134E-01 728 0.367E+00 0.227E+01
DAV: 6 -0.924845716389E+02 0.86077E+01 -0.30696E+01 720 0.302E+01 0.119E+01
DAV: 7 -0.916234599941E+02 0.86111E+00 -0.16729E+00 728 0.613E+00 0.481E+00
DAV: 8 -0.912442704981E+02 0.37919E+00 -0.55827E-01 712 0.403E+00 0.163E+00
DAV: 9 -0.911608240384E+02 0.83446E-01 -0.13089E-01 720 0.155E+00 0.426E-01
DAV: 10 -0.911513446212E+02 0.94794E-02 -0.47377E-02 749 0.111E+00 0.308E-01
DAV: 11 -0.911563316976E+02 -0.49871E-02 -0.13884E-02 613 0.617E-01 0.155E-01
DAV: 12 -0.911590876757E+02 -0.27560E-02 -0.31298E-03 639 0.247E-01 0.144E-01
DAV: 13 -0.911630997827E+02 -0.40121E-02 -0.32323E-03 706 0.333E-01 0.608E-02
DAV: 14 -0.911655614978E+02 -0.24617E-02 -0.49243E-04 664 0.110E-01 0.560E-02
DAV: 15 -0.911680724962E+02 -0.25110E-02 -0.34028E-04 629 0.883E-02 0.292E-02
DAV: 16 -0.911689908524E+02 -0.91836E-03 -0.30243E-04 688 0.845E-02 0.282E-02
DAV: 17 -0.911694860194E+02 -0.49517E-03 -0.10253E-04 634 0.610E-02 0.101E-02
DAV: 18 -0.911696286937E+02 -0.14267E-03 -0.17141E-05 496 0.229E-02 0.688E-03
DAV: 19 -0.911696906603E+02 -0.61967E-04 -0.11929E-05 448 0.205E-02 0.266E-03
DAV: 20 -0.911697306180E+02 -0.39958E-04 -0.41248E-06 434 0.955E-03 0.241E-03
DAV: 21 -0.911697479049E+02 -0.17287E-04 -0.22550E-06 445 0.712E-03 0.141E-03
DAV: 22 -0.911697523354E+02 -0.44305E-05 -0.12196E-06 472 0.553E-03
1 F= -.91169752E+02 E0= -.91175117E+02 d E =0.160952E-01