iterations/neb0_image07_iter97_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 0.376647730407E+03 0.37665E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.335562600365E+01 -0.37329E+03 -0.36134E+03 877 0.196E+02
DAV: 3 -0.963719244680E+02 -0.99728E+02 -0.99396E+02 664 0.117E+02
DAV: 4 -0.100895182859E+03 -0.45233E+01 -0.45126E+01 696 0.287E+01
DAV: 5 -0.100985827699E+03 -0.90645E-01 -0.90608E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.923813394800E+02 0.86045E+01 -0.30726E+01 709 0.303E+01 0.119E+01
DAV: 7 -0.915208853559E+02 0.86045E+00 -0.16657E+00 736 0.614E+00 0.481E+00
DAV: 8 -0.911404767066E+02 0.38041E+00 -0.56045E-01 704 0.404E+00 0.163E+00
DAV: 9 -0.910566836894E+02 0.83793E-01 -0.13173E-01 728 0.155E+00 0.425E-01
DAV: 10 -0.910473433317E+02 0.93404E-02 -0.47022E-02 728 0.111E+00 0.307E-01
DAV: 11 -0.910518491846E+02 -0.45059E-02 -0.11756E-02 616 0.567E-01 0.134E-01
DAV: 12 -0.910551599363E+02 -0.33108E-02 -0.37853E-03 616 0.287E-01 0.149E-01
DAV: 13 -0.910587949507E+02 -0.36350E-02 -0.27553E-03 736 0.329E-01 0.562E-02
DAV: 14 -0.910613427752E+02 -0.25478E-02 -0.65491E-04 653 0.120E-01 0.600E-02
DAV: 15 -0.910639064578E+02 -0.25637E-02 -0.31561E-04 653 0.897E-02 0.343E-02
DAV: 16 -0.910649838183E+02 -0.10774E-02 -0.40754E-04 680 0.100E-01 0.298E-02
DAV: 17 -0.910655261066E+02 -0.54229E-03 -0.13125E-04 645 0.720E-02 0.102E-02
DAV: 18 -0.910656752794E+02 -0.14917E-03 -0.23375E-05 560 0.265E-02 0.698E-03
DAV: 19 -0.910657621989E+02 -0.86920E-04 -0.18238E-05 485 0.248E-02 0.294E-03
DAV: 20 -0.910657941597E+02 -0.31961E-04 -0.43195E-06 496 0.108E-02 0.308E-03
DAV: 21 -0.910658059344E+02 -0.11775E-04 -0.19141E-06 432 0.799E-03 0.158E-03
DAV: 22 -0.910658145685E+02 -0.86342E-05 -0.16123E-06 406 0.625E-03
1 F= -.91065815E+02 E0= -.91070478E+02 d E =0.139898E-01