iterations/neb0_image05_iter272_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 0.367100439368E+03 0.36710E+03 -0.14304E+04 624 0.799E+02
DAV: 2 0.428678532022E+01 -0.36281E+03 -0.34977E+03 839 0.195E+02
DAV: 3 -0.952204945440E+02 -0.99507E+02 -0.99152E+02 640 0.117E+02
DAV: 4 -0.100121435361E+03 -0.49009E+01 -0.48880E+01 704 0.303E+01
DAV: 5 -0.100218993927E+03 -0.97559E-01 -0.97507E-01 728 0.386E+00 0.222E+01
DAV: 6 -0.915912230011E+02 0.86278E+01 -0.31264E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.907689983327E+02 0.82222E+00 -0.17311E+00 704 0.627E+00 0.484E+00
DAV: 8 -0.903887899465E+02 0.38021E+00 -0.56019E-01 728 0.431E+00 0.167E+00
DAV: 9 -0.903023128196E+02 0.86477E-01 -0.12624E-01 728 0.169E+00 0.436E-01
DAV: 10 -0.902948634990E+02 0.74493E-02 -0.46154E-02 717 0.121E+00 0.322E-01
DAV: 11 -0.902989116233E+02 -0.40481E-02 -0.89700E-03 624 0.612E-01 0.123E-01
DAV: 12 -0.903014491638E+02 -0.25375E-02 -0.61310E-03 631 0.385E-01 0.136E-01
DAV: 13 -0.903042619070E+02 -0.28127E-02 -0.21694E-03 864 0.346E-01 0.825E-02
DAV: 14 -0.903084834296E+02 -0.42215E-02 -0.17536E-03 635 0.194E-01 0.741E-02
DAV: 15 -0.903104856538E+02 -0.20022E-02 -0.29927E-04 824 0.118E-01 0.435E-02
DAV: 16 -0.903126116947E+02 -0.21260E-02 -0.13653E-03 647 0.229E-01 0.562E-02
DAV: 17 -0.903130748559E+02 -0.46316E-03 -0.25566E-04 864 0.105E-01 0.328E-02
DAV: 18 -0.903132238700E+02 -0.14901E-03 -0.39192E-05 696 0.365E-02 0.239E-02
DAV: 19 -0.903136183582E+02 -0.39449E-03 -0.16461E-04 689 0.772E-02 0.123E-02
DAV: 20 -0.903136467835E+02 -0.28425E-04 -0.18808E-05 592 0.303E-02 0.107E-02
DAV: 21 -0.903136832119E+02 -0.36428E-04 -0.11145E-05 414 0.221E-02 0.801E-03
DAV: 22 -0.903137059422E+02 -0.22730E-04 -0.40930E-06 487 0.131E-02 0.663E-03
DAV: 23 -0.903137171364E+02 -0.11194E-04 -0.61507E-06 421 0.172E-02 0.322E-03
DAV: 24 -0.903137192757E+02 -0.21393E-05 -0.20479E-06 490 0.984E-03
1 F= -.90313719E+02 E0= -.90319105E+02 d E =0.161569E-01