iterations/neb0_image06_iter196_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 0.371187817603E+03 0.37119E+03 -0.14349E+04 640 0.799E+02
DAV: 2 0.455546715765E+01 -0.36663E+03 -0.35458E+03 858 0.193E+02
DAV: 3 -0.957754922127E+02 -0.10033E+03 -0.99996E+02 677 0.116E+02
DAV: 4 -0.100470399854E+03 -0.46949E+01 -0.46809E+01 728 0.284E+01
DAV: 5 -0.100565690871E+03 -0.95291E-01 -0.95236E-01 736 0.360E+00 0.226E+01
DAV: 6 -0.919721633889E+02 0.85935E+01 -0.30630E+01 709 0.302E+01 0.118E+01
DAV: 7 -0.911414257560E+02 0.83074E+00 -0.17753E+00 704 0.628E+00 0.480E+00
DAV: 8 -0.907639688575E+02 0.37746E+00 -0.54569E-01 712 0.411E+00 0.167E+00
DAV: 9 -0.906730246446E+02 0.90944E-01 -0.12983E-01 704 0.159E+00 0.423E-01
DAV: 10 -0.906627563786E+02 0.10268E-01 -0.37859E-02 760 0.963E-01 0.286E-01
DAV: 11 -0.906670346897E+02 -0.42783E-02 -0.10070E-02 599 0.526E-01 0.151E-01
DAV: 12 -0.906694830732E+02 -0.24484E-02 -0.21432E-03 640 0.255E-01 0.866E-02
DAV: 13 -0.906738272513E+02 -0.43442E-02 -0.19128E-03 639 0.214E-01 0.633E-02
DAV: 14 -0.906762762264E+02 -0.24490E-02 -0.56550E-04 896 0.183E-01 0.306E-02
DAV: 15 -0.906789414249E+02 -0.26652E-02 -0.43342E-04 615 0.997E-02 0.348E-02
DAV: 16 -0.906801516907E+02 -0.12103E-02 -0.13502E-04 701 0.710E-02 0.171E-02
DAV: 17 -0.906810649011E+02 -0.91321E-03 -0.20730E-04 629 0.740E-02 0.180E-02
DAV: 18 -0.906812790100E+02 -0.21411E-03 -0.37213E-05 680 0.397E-02 0.896E-03
DAV: 19 -0.906813619589E+02 -0.82949E-04 -0.23999E-05 533 0.283E-02 0.527E-03
DAV: 20 -0.906814007340E+02 -0.38775E-04 -0.52093E-06 461 0.154E-02 0.317E-03
DAV: 21 -0.906814322677E+02 -0.31534E-04 -0.68714E-06 415 0.151E-02 0.257E-03
DAV: 22 -0.906814385055E+02 -0.62378E-05 -0.12383E-06 488 0.743E-03
1 F= -.90681439E+02 E0= -.90686530E+02 d E =0.152751E-01