./iterations/neb0_image05_iter8_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 0.358875480318E+03 0.35888E+03 -0.14167E+04 624 0.799E+02
DAV: 2 0.626349136122E+01 -0.35261E+03 -0.34063E+03 863 0.192E+02
DAV: 3 -0.902930822881E+02 -0.96557E+02 -0.95890E+02 696 0.114E+02
DAV: 4 -0.950979829533E+02 -0.48049E+01 -0.47829E+01 696 0.278E+01
DAV: 5 -0.952077910826E+02 -0.10981E+00 -0.10975E+00 752 0.368E+00 0.213E+01
DAV: 6 -0.870368146252E+02 0.81710E+01 -0.31462E+01 701 0.307E+01 0.112E+01
DAV: 7 -0.863002918372E+02 0.73652E+00 -0.20040E+00 728 0.788E+00 0.488E+00
DAV: 8 -0.859302322650E+02 0.37006E+00 -0.66524E-01 728 0.452E+00 0.174E+00
DAV: 9 -0.858598827531E+02 0.70350E-01 -0.16029E-01 728 0.186E+00 0.584E-01
DAV: 10 -0.858493316118E+02 0.10551E-01 -0.53324E-02 728 0.141E+00 0.359E-01
DAV: 11 -0.858488524203E+02 0.47919E-03 -0.10154E-02 712 0.692E-01 0.210E-01
DAV: 12 -0.858525394639E+02 -0.36870E-02 -0.12696E-02 602 0.590E-01 0.173E-01
DAV: 13 -0.858554158362E+02 -0.28764E-02 -0.30772E-03 708 0.392E-01 0.733E-02
DAV: 14 -0.858588921824E+02 -0.34763E-02 -0.18652E-03 628 0.218E-01 0.638E-02
DAV: 15 -0.858603893656E+02 -0.14972E-02 -0.33797E-04 696 0.132E-01 0.321E-02
DAV: 16 -0.858625096379E+02 -0.21203E-02 -0.51841E-04 717 0.134E-01 0.327E-02
DAV: 17 -0.858630024036E+02 -0.49277E-03 -0.69469E-05 784 0.626E-02 0.194E-02
DAV: 18 -0.858636497792E+02 -0.64738E-03 -0.14570E-04 706 0.673E-02 0.112E-02
DAV: 19 -0.858640121541E+02 -0.36237E-03 -0.32300E-05 605 0.294E-02 0.948E-03
DAV: 20 -0.858641359641E+02 -0.12381E-03 -0.24682E-05 616 0.263E-02 0.462E-03
DAV: 21 -0.858641926609E+02 -0.56697E-04 -0.74076E-06 447 0.170E-02 0.213E-03
DAV: 22 -0.858642145448E+02 -0.21884E-04 -0.38201E-06 464 0.915E-03 0.213E-03
DAV: 23 -0.858642225694E+02 -0.80247E-05 -0.11729E-06 458 0.704E-03
1 F= -.85864223E+02 E0= -.85868119E+02 d E =0.116895E-01