iterations/neb0_image06_iter163_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 0.371163078429E+03 0.37116E+03 -0.14344E+04 640 0.799E+02
DAV: 2 0.352523350658E+01 -0.36764E+03 -0.35593E+03 877 0.193E+02
DAV: 3 -0.960576536145E+02 -0.99583E+02 -0.99255E+02 690 0.116E+02
DAV: 4 -0.100510029300E+03 -0.44524E+01 -0.44402E+01 704 0.276E+01
DAV: 5 -0.100597210760E+03 -0.87181E-01 -0.87134E-01 736 0.347E+00 0.226E+01
DAV: 6 -0.920027959050E+02 0.85944E+01 -0.30847E+01 725 0.304E+01 0.119E+01
DAV: 7 -0.911821015982E+02 0.82069E+00 -0.17270E+00 712 0.628E+00 0.481E+00
DAV: 8 -0.908073598075E+02 0.37474E+00 -0.52634E-01 728 0.400E+00 0.171E+00
DAV: 9 -0.907149886711E+02 0.92371E-01 -0.13410E-01 720 0.160E+00 0.425E-01
DAV: 10 -0.907048651194E+02 0.10124E-01 -0.33968E-02 760 0.924E-01 0.278E-01
DAV: 11 -0.907087037705E+02 -0.38387E-02 -0.89765E-03 610 0.489E-01 0.142E-01
DAV: 12 -0.907113917884E+02 -0.26880E-02 -0.18859E-03 648 0.259E-01 0.823E-02
DAV: 13 -0.907156020769E+02 -0.42103E-02 -0.20088E-03 639 0.215E-01 0.696E-02
DAV: 14 -0.907189482567E+02 -0.33462E-02 -0.14862E-03 749 0.293E-01 0.521E-02
DAV: 15 -0.907206217383E+02 -0.16735E-02 -0.42455E-04 717 0.117E-01 0.480E-02
DAV: 16 -0.907219593928E+02 -0.13377E-02 -0.42960E-04 746 0.127E-01 0.205E-02
DAV: 17 -0.907227688762E+02 -0.80948E-03 -0.18524E-04 717 0.677E-02 0.193E-02
DAV: 18 -0.907230526156E+02 -0.28374E-03 -0.22501E-05 546 0.236E-02 0.137E-02
DAV: 19 -0.907231930706E+02 -0.14045E-03 -0.52424E-05 637 0.434E-02 0.530E-03
DAV: 20 -0.907232128990E+02 -0.19828E-04 -0.61067E-06 512 0.161E-02 0.445E-03
DAV: 21 -0.907232463793E+02 -0.33480E-04 -0.66495E-06 398 0.137E-02 0.259E-03
DAV: 22 -0.907232508222E+02 -0.44429E-05 -0.12179E-06 512 0.709E-03
1 F= -.90723251E+02 E0= -.90728426E+02 d E =0.155259E-01