./iterations/neb0_image03_iter216_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 0.364388793459E+03 0.36439E+03 -0.14329E+04 632 0.799E+02
DAV: 2 -0.452761467518E-01 -0.36443E+03 -0.35453E+03 855 0.195E+02
DAV: 3 -0.960708005083E+02 -0.96026E+02 -0.95717E+02 664 0.115E+02
DAV: 4 -0.100324588294E+03 -0.42538E+01 -0.42426E+01 704 0.277E+01
DAV: 5 -0.100408431102E+03 -0.83843E-01 -0.83806E-01 736 0.350E+00 0.223E+01
DAV: 6 -0.917388860585E+02 0.86695E+01 -0.31079E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908867848756E+02 0.85210E+00 -0.18109E+00 712 0.634E+00 0.484E+00
DAV: 8 -0.904911870759E+02 0.39560E+00 -0.56088E-01 704 0.427E+00 0.169E+00
DAV: 9 -0.903965554182E+02 0.94632E-01 -0.13084E-01 720 0.172E+00 0.438E-01
DAV: 10 -0.903889019455E+02 0.76535E-02 -0.46154E-02 712 0.118E+00 0.334E-01
DAV: 11 -0.903932074988E+02 -0.43056E-02 -0.92549E-03 624 0.649E-01 0.125E-01
DAV: 12 -0.903957566062E+02 -0.25491E-02 -0.42810E-03 629 0.328E-01 0.111E-01
DAV: 13 -0.904004371352E+02 -0.46805E-02 -0.23503E-03 693 0.321E-01 0.872E-02
DAV: 14 -0.904035078441E+02 -0.30707E-02 -0.88467E-04 672 0.145E-01 0.472E-02
DAV: 15 -0.904059910083E+02 -0.24832E-02 -0.55096E-04 666 0.125E-01 0.240E-02
DAV: 16 -0.904073829941E+02 -0.13920E-02 -0.13988E-04 672 0.589E-02 0.162E-02
DAV: 17 -0.904081414837E+02 -0.75849E-03 -0.12151E-04 661 0.628E-02 0.118E-02
DAV: 18 -0.904084240040E+02 -0.28252E-03 -0.44279E-05 672 0.396E-02 0.999E-03
DAV: 19 -0.904084947352E+02 -0.70731E-04 -0.10104E-05 472 0.223E-02 0.541E-03
DAV: 20 -0.904085914168E+02 -0.96682E-04 -0.23422E-05 498 0.259E-02 0.441E-03
DAV: 21 -0.904086220264E+02 -0.30610E-04 -0.37894E-06 496 0.111E-02 0.363E-03
DAV: 22 -0.904086331951E+02 -0.11169E-04 -0.26641E-06 448 0.899E-03 0.115E-03
DAV: 23 -0.904086391709E+02 -0.59758E-05 -0.13622E-06 456 0.596E-03
1 F= -.90408639E+02 E0= -.90416082E+02 d E =0.223275E-01