iterations/neb0_image05_iter201_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 0.367894167578E+03 0.36789E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.416820598666E+01 -0.36373E+03 -0.34982E+03 848 0.195E+02
DAV: 3 -0.954111875367E+02 -0.99579E+02 -0.99243E+02 677 0.116E+02
DAV: 4 -0.999522063780E+02 -0.45410E+01 -0.45308E+01 704 0.282E+01
DAV: 5 -0.100042519775E+03 -0.90313E-01 -0.90271E-01 728 0.354E+00 0.221E+01
DAV: 6 -0.915395302612E+02 0.85030E+01 -0.30714E+01 680 0.299E+01 0.116E+01
DAV: 7 -0.907501272077E+02 0.78940E+00 -0.17917E+00 720 0.629E+00 0.481E+00
DAV: 8 -0.903815209846E+02 0.36861E+00 -0.52526E-01 712 0.421E+00 0.169E+00
DAV: 9 -0.902953959023E+02 0.86125E-01 -0.13750E-01 720 0.171E+00 0.434E-01
DAV: 10 -0.902890597559E+02 0.63361E-02 -0.43084E-02 744 0.125E+00 0.310E-01
DAV: 11 -0.902921886764E+02 -0.31289E-02 -0.68064E-03 616 0.534E-01 0.140E-01
DAV: 12 -0.902947404524E+02 -0.25518E-02 -0.62226E-03 616 0.466E-01 0.116E-01
DAV: 13 -0.902975823453E+02 -0.28419E-02 -0.12946E-03 821 0.279E-01 0.793E-02
DAV: 14 -0.903007946481E+02 -0.32123E-02 -0.15095E-03 646 0.170E-01 0.603E-02
DAV: 15 -0.903031431995E+02 -0.23486E-02 -0.46569E-04 728 0.143E-01 0.376E-02
DAV: 16 -0.903049371097E+02 -0.17939E-02 -0.82474E-04 661 0.161E-01 0.443E-02
DAV: 17 -0.903055793699E+02 -0.64226E-03 -0.23726E-04 880 0.111E-01 0.197E-02
DAV: 18 -0.903056551208E+02 -0.75751E-04 -0.52881E-05 693 0.378E-02 0.118E-02
DAV: 19 -0.903059267704E+02 -0.27165E-03 -0.40208E-05 572 0.358E-02 0.863E-03
DAV: 20 -0.903060681025E+02 -0.14133E-03 -0.13120E-05 469 0.230E-02 0.592E-03
DAV: 21 -0.903061107413E+02 -0.42639E-04 -0.19588E-05 530 0.244E-02 0.544E-03
DAV: 22 -0.903061308953E+02 -0.20154E-04 -0.78562E-06 445 0.233E-02 0.269E-03
DAV: 23 -0.903061344909E+02 -0.35956E-05 -0.31828E-06 490 0.931E-03
1 F= -.90306134E+02 E0= -.90312248E+02 d E =0.183411E-01