./iterations/neb0_image08_iter217_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 0.373725768856E+03 0.37373E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.353486139175E+01 -0.37019E+03 -0.35776E+03 869 0.196E+02
DAV: 3 -0.966628497517E+02 -0.10020E+03 -0.99886E+02 661 0.117E+02
DAV: 4 -0.101255627787E+03 -0.45928E+01 -0.45794E+01 720 0.288E+01
DAV: 5 -0.101345522448E+03 -0.89895E-01 -0.89840E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926583389734E+02 0.86872E+01 -0.31008E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.917925196886E+02 0.86582E+00 -0.17349E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914173047446E+02 0.37521E+00 -0.54100E-01 720 0.394E+00 0.162E+00
DAV: 9 -0.913372493616E+02 0.80055E-01 -0.13255E-01 728 0.155E+00 0.419E-01
DAV: 10 -0.913294005991E+02 0.78488E-02 -0.45894E-02 752 0.110E+00 0.306E-01
DAV: 11 -0.913342783385E+02 -0.48777E-02 -0.14755E-02 616 0.634E-01 0.154E-01
DAV: 12 -0.913370802048E+02 -0.28019E-02 -0.28374E-03 625 0.235E-01 0.112E-01
DAV: 13 -0.913407335535E+02 -0.36533E-02 -0.25143E-03 642 0.262E-01 0.525E-02
DAV: 14 -0.913440735380E+02 -0.33400E-02 -0.87634E-04 653 0.175E-01 0.291E-02
DAV: 15 -0.913452021313E+02 -0.11286E-02 -0.17146E-04 696 0.769E-02 0.225E-02
DAV: 16 -0.913462403591E+02 -0.10382E-02 -0.17689E-04 634 0.788E-02 0.122E-02
DAV: 17 -0.913467320384E+02 -0.49168E-03 -0.42894E-05 664 0.335E-02 0.130E-02
DAV: 18 -0.913469199481E+02 -0.18791E-03 -0.25682E-05 560 0.293E-02 0.602E-03
DAV: 19 -0.913470475292E+02 -0.12758E-03 -0.17043E-05 434 0.181E-02 0.371E-03
DAV: 20 -0.913470710330E+02 -0.23504E-04 -0.36003E-06 512 0.844E-03 0.258E-03
DAV: 21 -0.913470838685E+02 -0.12836E-04 -0.28878E-06 412 0.112E-02 0.187E-03
DAV: 22 -0.913470871592E+02 -0.32907E-05 -0.15818E-06 488 0.636E-03
1 F= -.91347087E+02 E0= -.91352091E+02 d E =0.150105E-01