iterations/neb0_image02_iter72_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 0.365322773919E+03 0.36532E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.411539265730E+01 -0.36121E+03 -0.34651E+03 834 0.195E+02
DAV: 3 -0.957145608215E+02 -0.99830E+02 -0.99498E+02 685 0.116E+02
DAV: 4 -0.100190888290E+03 -0.44763E+01 -0.44659E+01 696 0.278E+01
DAV: 5 -0.100277362793E+03 -0.86475E-01 -0.86431E-01 736 0.347E+00 0.222E+01
DAV: 6 -0.916464202973E+02 0.86309E+01 -0.31047E+01 696 0.300E+01 0.117E+01
DAV: 7 -0.908247524783E+02 0.82167E+00 -0.18432E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904372081992E+02 0.38754E+00 -0.55686E-01 696 0.427E+00 0.170E+00
DAV: 9 -0.903457079966E+02 0.91500E-01 -0.14037E-01 704 0.166E+00 0.432E-01
DAV: 10 -0.903391702834E+02 0.65377E-02 -0.47504E-02 704 0.126E+00 0.322E-01
DAV: 11 -0.903429384887E+02 -0.37682E-02 -0.73354E-03 608 0.489E-01 0.143E-01
DAV: 12 -0.903463863586E+02 -0.34479E-02 -0.70636E-03 621 0.460E-01 0.132E-01
DAV: 13 -0.903490418290E+02 -0.26555E-02 -0.14859E-03 912 0.328E-01 0.783E-02
DAV: 14 -0.903521903826E+02 -0.31486E-02 -0.13761E-03 637 0.178E-01 0.571E-02
DAV: 15 -0.903545491925E+02 -0.23588E-02 -0.39778E-04 677 0.112E-01 0.430E-02
DAV: 16 -0.903559841162E+02 -0.14349E-02 -0.66359E-04 656 0.144E-01 0.335E-02
DAV: 17 -0.903568419460E+02 -0.85783E-03 -0.18584E-04 826 0.942E-02 0.178E-02
DAV: 18 -0.903569874084E+02 -0.14546E-03 -0.38591E-05 712 0.335E-02 0.949E-03
DAV: 19 -0.903571806143E+02 -0.19321E-03 -0.32247E-05 553 0.284E-02 0.422E-03
DAV: 20 -0.903572199671E+02 -0.39353E-04 -0.32458E-06 477 0.959E-03 0.457E-03
DAV: 21 -0.903572709027E+02 -0.50936E-04 -0.74563E-06 400 0.156E-02 0.182E-03
DAV: 22 -0.903572809189E+02 -0.10016E-04 -0.38300E-06 477 0.919E-03 0.249E-03
DAV: 23 -0.903572821884E+02 -0.12696E-05 -0.60904E-07 544 0.464E-03
1 F= -.90357282E+02 E0= -.90362955E+02 d E =0.170191E-01