./iterations/neb0_image04_iter180_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 0.363447113274E+03 0.36345E+03 -0.14357E+04 640 0.799E+02
DAV: 2 0.906941234125E+00 -0.36254E+03 -0.34967E+03 863 0.193E+02
DAV: 3 -0.959790996756E+02 -0.96886E+02 -0.96588E+02 661 0.115E+02
DAV: 4 -0.100257392975E+03 -0.42783E+01 -0.42681E+01 696 0.280E+01
DAV: 5 -0.100338859892E+03 -0.81467E-01 -0.81433E-01 736 0.350E+00 0.223E+01
DAV: 6 -0.916327799928E+02 0.87061E+01 -0.31016E+01 679 0.297E+01 0.117E+01
DAV: 7 -0.907696766449E+02 0.86310E+00 -0.17799E+00 704 0.632E+00 0.483E+00
DAV: 8 -0.903613160486E+02 0.40836E+00 -0.56415E-01 704 0.434E+00 0.168E+00
DAV: 9 -0.902691174323E+02 0.92199E-01 -0.12248E-01 720 0.207E+00 0.520E-01
DAV: 10 -0.902571940327E+02 0.11923E-01 -0.34113E-02 720 0.939E-01 0.361E-01
DAV: 11 -0.902592442756E+02 -0.20502E-02 -0.14344E-02 688 0.845E-01 0.305E-01
DAV: 12 -0.902601877772E+02 -0.94350E-03 -0.42842E-03 744 0.632E-01 0.124E-01
DAV: 13 -0.902646613566E+02 -0.44736E-02 -0.39210E-03 620 0.337E-01 0.103E-01
DAV: 14 -0.902679456926E+02 -0.32843E-02 -0.69338E-04 640 0.170E-01 0.578E-02
DAV: 15 -0.902715450230E+02 -0.35993E-02 -0.92584E-04 658 0.182E-01 0.351E-02
DAV: 16 -0.902730784858E+02 -0.15335E-02 -0.17921E-04 760 0.103E-01 0.223E-02
DAV: 17 -0.902746763659E+02 -0.15979E-02 -0.34175E-04 652 0.910E-02 0.245E-02
DAV: 18 -0.902749438095E+02 -0.26744E-03 -0.47491E-05 680 0.568E-02 0.127E-02
DAV: 19 -0.902752563109E+02 -0.31250E-03 -0.13825E-04 638 0.674E-02 0.178E-02
DAV: 20 -0.902752984100E+02 -0.42099E-04 -0.10252E-05 528 0.302E-02 0.120E-02
DAV: 21 -0.902753668049E+02 -0.68395E-04 -0.50204E-05 598 0.415E-02 0.591E-03
DAV: 22 -0.902754057444E+02 -0.38939E-04 -0.54579E-06 463 0.140E-02 0.522E-03
DAV: 23 -0.902754165063E+02 -0.10762E-04 -0.15385E-06 490 0.583E-03 0.527E-03
DAV: 24 -0.902754228732E+02 -0.63669E-05 -0.21281E-06 412 0.111E-02
1 F= -.90275423E+02 E0= -.90283877E+02 d E =0.253615E-01