iterations/neb0_image03_iter218_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 0.362780181107E+03 0.36278E+03 -0.14320E+04 632 0.799E+02
DAV: 2 -0.137732861388E+00 -0.36292E+03 -0.35334E+03 850 0.195E+02
DAV: 3 -0.960612345989E+02 -0.95924E+02 -0.95609E+02 680 0.115E+02
DAV: 4 -0.100238430801E+03 -0.41772E+01 -0.41660E+01 720 0.269E+01
DAV: 5 -0.100321260883E+03 -0.82830E-01 -0.82800E-01 736 0.339E+00 0.222E+01
DAV: 6 -0.917140267887E+02 0.86072E+01 -0.30951E+01 688 0.297E+01 0.117E+01
DAV: 7 -0.908751522171E+02 0.83887E+00 -0.18102E+00 712 0.639E+00 0.485E+00
DAV: 8 -0.904774572636E+02 0.39769E+00 -0.56644E-01 696 0.439E+00 0.169E+00
DAV: 9 -0.903837822420E+02 0.93675E-01 -0.13762E-01 728 0.176E+00 0.441E-01
DAV: 10 -0.903764211631E+02 0.73611E-02 -0.56308E-02 712 0.138E+00 0.353E-01
DAV: 11 -0.903802337705E+02 -0.38126E-02 -0.92961E-03 624 0.607E-01 0.139E-01
DAV: 12 -0.903842315076E+02 -0.39977E-02 -0.86470E-03 621 0.460E-01 0.151E-01
DAV: 13 -0.903868287949E+02 -0.25973E-02 -0.20785E-03 901 0.382E-01 0.848E-02
DAV: 14 -0.903904502697E+02 -0.36215E-02 -0.17368E-03 642 0.227E-01 0.713E-02
DAV: 15 -0.903926830939E+02 -0.22328E-02 -0.42027E-04 664 0.100E-01 0.634E-02
DAV: 16 -0.903939348939E+02 -0.12518E-02 -0.60933E-04 680 0.158E-01 0.162E-02
DAV: 17 -0.903950355037E+02 -0.11006E-02 -0.20699E-04 656 0.731E-02 0.337E-02
DAV: 18 -0.903954785785E+02 -0.44307E-03 -0.48760E-05 688 0.384E-02 0.247E-02
DAV: 19 -0.903957210262E+02 -0.24245E-03 -0.13922E-04 645 0.705E-02 0.919E-03
DAV: 20 -0.903957782676E+02 -0.57241E-04 -0.15168E-05 504 0.268E-02 0.690E-03
DAV: 21 -0.903958328476E+02 -0.54580E-04 -0.13315E-05 437 0.193E-02 0.446E-03
DAV: 22 -0.903958497891E+02 -0.16942E-04 -0.29149E-06 480 0.128E-02 0.337E-03
DAV: 23 -0.903958555882E+02 -0.57991E-05 -0.31274E-06 440 0.946E-03
1 F= -.90395856E+02 E0= -.90401852E+02 d E =0.179886E-01