./iterations/neb0_image03_iter68_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 0.367756072769E+03 0.36776E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.391181986678E+01 -0.36384E+03 -0.35060E+03 845 0.195E+02
DAV: 3 -0.955212515470E+02 -0.99433E+02 -0.99105E+02 672 0.116E+02
DAV: 4 -0.100099318069E+03 -0.45781E+01 -0.45678E+01 712 0.287E+01
DAV: 5 -0.100187663222E+03 -0.88345E-01 -0.88307E-01 736 0.360E+00 0.223E+01
DAV: 6 -0.915969888055E+02 0.85907E+01 -0.30686E+01 696 0.297E+01 0.116E+01
DAV: 7 -0.907475669435E+02 0.84942E+00 -0.18358E+00 712 0.639E+00 0.482E+00
DAV: 8 -0.903441562010E+02 0.40341E+00 -0.56730E-01 696 0.432E+00 0.166E+00
DAV: 9 -0.902491712028E+02 0.94985E-01 -0.14157E-01 704 0.172E+00 0.437E-01
DAV: 10 -0.902414097884E+02 0.77614E-02 -0.48739E-02 712 0.123E+00 0.336E-01
DAV: 11 -0.902448240050E+02 -0.34142E-02 -0.72538E-03 613 0.531E-01 0.125E-01
DAV: 12 -0.902479667038E+02 -0.31427E-02 -0.64238E-03 612 0.376E-01 0.133E-01
DAV: 13 -0.902514798898E+02 -0.35132E-02 -0.20958E-03 856 0.384E-01 0.836E-02
DAV: 14 -0.902546724491E+02 -0.31926E-02 -0.11598E-03 628 0.161E-01 0.637E-02
DAV: 15 -0.902571078199E+02 -0.24354E-02 -0.43488E-04 728 0.114E-01 0.364E-02
DAV: 16 -0.902588806099E+02 -0.17728E-02 -0.59950E-04 666 0.136E-01 0.338E-02
DAV: 17 -0.902596406375E+02 -0.76003E-03 -0.11111E-04 677 0.647E-02 0.215E-02
DAV: 18 -0.902599950786E+02 -0.35444E-03 -0.13033E-04 648 0.638E-02 0.959E-03
DAV: 19 -0.902600720613E+02 -0.76983E-04 -0.72683E-06 504 0.175E-02 0.795E-03
DAV: 20 -0.902601335786E+02 -0.61517E-04 -0.11634E-05 429 0.225E-02 0.366E-03
DAV: 21 -0.902601848897E+02 -0.51311E-04 -0.89030E-06 461 0.157E-02 0.315E-03
DAV: 22 -0.902601971198E+02 -0.12230E-04 -0.21962E-06 480 0.846E-03 0.245E-03
DAV: 23 -0.902602005722E+02 -0.34524E-05 -0.14570E-06 464 0.811E-03
1 F= -.90260201E+02 E0= -.90267773E+02 d E =0.227170E-01