iterations/neb0_image05_iter273_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 0.367288884697E+03 0.36729E+03 -0.14306E+04 624 0.799E+02
DAV: 2 0.430437473427E+01 -0.36298E+03 -0.34994E+03 839 0.196E+02
DAV: 3 -0.951702492680E+02 -0.99475E+02 -0.99118E+02 632 0.117E+02
DAV: 4 -0.100127053078E+03 -0.49568E+01 -0.49439E+01 704 0.307E+01
DAV: 5 -0.100225509583E+03 -0.98457E-01 -0.98405E-01 736 0.392E+00 0.222E+01
DAV: 6 -0.915853342636E+02 0.86402E+01 -0.31229E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.907621782354E+02 0.82316E+00 -0.17287E+00 712 0.626E+00 0.484E+00
DAV: 8 -0.903819392943E+02 0.38024E+00 -0.55547E-01 728 0.431E+00 0.168E+00
DAV: 9 -0.902951272140E+02 0.86812E-01 -0.12677E-01 728 0.166E+00 0.436E-01
DAV: 10 -0.902864743469E+02 0.86529E-02 -0.42206E-02 725 0.113E+00 0.324E-01
DAV: 11 -0.902887251903E+02 -0.22508E-02 -0.80977E-03 632 0.751E-01 0.126E-01
DAV: 12 -0.902910711837E+02 -0.23460E-02 -0.72864E-03 648 0.449E-01 0.163E-01
DAV: 13 -0.902937872315E+02 -0.27160E-02 -0.23319E-03 896 0.429E-01 0.101E-01
DAV: 14 -0.902970286668E+02 -0.32414E-02 -0.18541E-03 619 0.205E-01 0.101E-01
DAV: 15 -0.902993379839E+02 -0.23093E-02 -0.41776E-04 760 0.137E-01 0.539E-02
DAV: 16 -0.903023396612E+02 -0.30017E-02 -0.14558E-03 687 0.245E-01 0.624E-02
DAV: 17 -0.903028052200E+02 -0.46556E-03 -0.32364E-04 920 0.142E-01 0.262E-02
DAV: 18 -0.903031731817E+02 -0.36796E-03 -0.11681E-04 648 0.591E-02 0.111E-02
DAV: 19 -0.903038711598E+02 -0.69798E-03 -0.78232E-05 644 0.370E-02 0.856E-03
DAV: 20 -0.903039971127E+02 -0.12595E-03 -0.10928E-05 512 0.182E-02 0.801E-03
DAV: 21 -0.903040955783E+02 -0.98466E-04 -0.21100E-05 472 0.220E-02 0.594E-03
DAV: 22 -0.903041121816E+02 -0.16603E-04 -0.62858E-06 504 0.154E-02 0.260E-03
DAV: 23 -0.903041224082E+02 -0.10227E-04 -0.18408E-06 400 0.631E-03 0.208E-03
DAV: 24 -0.903041258910E+02 -0.34828E-05 -0.67379E-07 488 0.460E-03
1 F= -.90304126E+02 E0= -.90312442E+02 d E =0.249494E-01