iterations/neb0_image09_iter148_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 0.374517218270E+03 0.37452E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.328372668517E+01 -0.37123E+03 -0.35839E+03 869 0.196E+02
DAV: 3 -0.968274516370E+02 -0.10011E+03 -0.99781E+02 669 0.117E+02
DAV: 4 -0.101275938138E+03 -0.44485E+01 -0.44382E+01 720 0.283E+01
DAV: 5 -0.101362168446E+03 -0.86230E-01 -0.86191E-01 728 0.359E+00 0.227E+01
DAV: 6 -0.926786123602E+02 0.86836E+01 -0.30945E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918015076890E+02 0.87710E+00 -0.17267E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914241390719E+02 0.37737E+00 -0.54357E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913430252293E+02 0.81114E-01 -0.13283E-01 712 0.157E+00 0.425E-01
DAV: 10 -0.913348284444E+02 0.81968E-02 -0.45038E-02 784 0.112E+00 0.302E-01
DAV: 11 -0.913389684148E+02 -0.41400E-02 -0.12086E-02 616 0.577E-01 0.130E-01
DAV: 12 -0.913421365427E+02 -0.31681E-02 -0.28807E-03 626 0.242E-01 0.114E-01
DAV: 13 -0.913458846850E+02 -0.37481E-02 -0.14617E-03 672 0.212E-01 0.429E-02
DAV: 14 -0.913489843432E+02 -0.30997E-02 -0.58596E-04 664 0.128E-01 0.362E-02
DAV: 15 -0.913506483189E+02 -0.16640E-02 -0.14029E-04 736 0.685E-02 0.341E-02
DAV: 16 -0.913519097937E+02 -0.12615E-02 -0.32796E-04 650 0.880E-02 0.172E-02
DAV: 17 -0.913523234099E+02 -0.41362E-03 -0.47407E-05 688 0.414E-02 0.113E-02
DAV: 18 -0.913525648450E+02 -0.24144E-03 -0.37426E-05 568 0.255E-02 0.743E-03
DAV: 19 -0.913526064716E+02 -0.41627E-04 -0.52448E-06 504 0.164E-02 0.267E-03
DAV: 20 -0.913526415141E+02 -0.35043E-04 -0.82215E-06 404 0.165E-02 0.353E-03
DAV: 21 -0.913526515460E+02 -0.10032E-04 -0.16080E-06 472 0.810E-03 0.259E-03
DAV: 22 -0.913526568235E+02 -0.52775E-05 -0.22100E-06 412 0.947E-03
1 F= -.91352657E+02 E0= -.91357225E+02 d E =0.137047E-01