iterations/neb0_image04_iter212_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 0.365408119390E+03 0.36541E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.180580452201E+01 -0.36360E+03 -0.35119E+03 861 0.194E+02
DAV: 3 -0.959823552964E+02 -0.97788E+02 -0.97485E+02 661 0.116E+02
DAV: 4 -0.100304356566E+03 -0.43220E+01 -0.43126E+01 704 0.281E+01
DAV: 5 -0.100387983069E+03 -0.83627E-01 -0.83593E-01 736 0.352E+00 0.224E+01
DAV: 6 -0.916749920990E+02 0.87130E+01 -0.31165E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908049410865E+02 0.87005E+00 -0.17722E+00 712 0.644E+00 0.484E+00
DAV: 8 -0.903898359503E+02 0.41511E+00 -0.55462E-01 696 0.441E+00 0.172E+00
DAV: 9 -0.902974944350E+02 0.92342E-01 -0.15475E-01 717 0.190E+00 0.509E-01
DAV: 10 -0.902866534750E+02 0.10841E-01 -0.35779E-02 704 0.102E+00 0.335E-01
DAV: 11 -0.902885572306E+02 -0.19038E-02 -0.70224E-03 693 0.454E-01 0.173E-01
DAV: 12 -0.902917034054E+02 -0.31462E-02 -0.28940E-03 637 0.348E-01 0.118E-01
DAV: 13 -0.902951230765E+02 -0.34197E-02 -0.13537E-03 620 0.267E-01 0.978E-02
DAV: 14 -0.902992977963E+02 -0.41747E-02 -0.20606E-03 692 0.270E-01 0.501E-02
DAV: 15 -0.903005804991E+02 -0.12827E-02 -0.24507E-04 712 0.102E-01 0.389E-02
DAV: 16 -0.903035157680E+02 -0.29353E-02 -0.10837E-03 753 0.209E-01 0.481E-02
DAV: 17 -0.903037966630E+02 -0.28089E-03 -0.14352E-04 744 0.876E-02 0.340E-02
DAV: 18 -0.903044533923E+02 -0.65673E-03 -0.23074E-04 716 0.865E-02 0.104E-02
DAV: 19 -0.903049219387E+02 -0.46855E-03 -0.72237E-05 666 0.444E-02 0.114E-02
DAV: 20 -0.903050627641E+02 -0.14083E-03 -0.92005E-06 472 0.158E-02 0.850E-03
DAV: 21 -0.903051539106E+02 -0.91146E-04 -0.30074E-05 551 0.312E-02 0.418E-03
DAV: 22 -0.903051789700E+02 -0.25059E-04 -0.34300E-06 488 0.121E-02 0.295E-03
DAV: 23 -0.903051858582E+02 -0.68883E-05 -0.22210E-06 471 0.728E-03
1 F= -.90305186E+02 E0= -.90313544E+02 d E =0.250741E-01