./iterations/neb0_image03_iter206_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 0.363752305638E+03 0.36375E+03 -0.14324E+04 632 0.799E+02
DAV: 2 -0.102244258992E+00 -0.36385E+03 -0.35395E+03 855 0.195E+02
DAV: 3 -0.960572642546E+02 -0.95955E+02 -0.95644E+02 669 0.115E+02
DAV: 4 -0.100268896357E+03 -0.42116E+01 -0.42000E+01 712 0.273E+01
DAV: 5 -0.100352433473E+03 -0.83537E-01 -0.83502E-01 736 0.344E+00 0.222E+01
DAV: 6 -0.917289542942E+02 0.86235E+01 -0.30987E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.908868284008E+02 0.84213E+00 -0.18155E+00 704 0.636E+00 0.484E+00
DAV: 8 -0.904917905663E+02 0.39504E+00 -0.56412E-01 696 0.430E+00 0.169E+00
DAV: 9 -0.903966372031E+02 0.95153E-01 -0.13028E-01 720 0.174E+00 0.439E-01
DAV: 10 -0.903888793521E+02 0.77579E-02 -0.48669E-02 728 0.121E+00 0.342E-01
DAV: 11 -0.903931368770E+02 -0.42575E-02 -0.10402E-02 624 0.683E-01 0.126E-01
DAV: 12 -0.903956444577E+02 -0.25076E-02 -0.48051E-03 632 0.334E-01 0.119E-01
DAV: 13 -0.903998920023E+02 -0.42475E-02 -0.25751E-03 754 0.378E-01 0.842E-02
DAV: 14 -0.904030959630E+02 -0.32040E-02 -0.11052E-03 669 0.171E-01 0.600E-02
DAV: 15 -0.904051322852E+02 -0.20363E-02 -0.38555E-04 656 0.110E-01 0.231E-02
DAV: 16 -0.904070504642E+02 -0.19182E-02 -0.30165E-04 658 0.861E-02 0.245E-02
DAV: 17 -0.904075398647E+02 -0.48940E-03 -0.41125E-05 616 0.547E-02 0.130E-02
DAV: 18 -0.904081715209E+02 -0.63166E-03 -0.20091E-04 676 0.821E-02 0.199E-02
DAV: 19 -0.904082217798E+02 -0.50259E-04 -0.34917E-05 688 0.486E-02 0.705E-03
DAV: 20 -0.904083075189E+02 -0.85739E-04 -0.18264E-05 447 0.212E-02 0.267E-03
DAV: 21 -0.904083733051E+02 -0.65786E-04 -0.14176E-05 493 0.175E-02 0.413E-03
DAV: 22 -0.904083865637E+02 -0.13259E-04 -0.25210E-06 512 0.101E-02 0.352E-03
DAV: 23 -0.904083914706E+02 -0.49069E-05 -0.33627E-06 416 0.128E-02
1 F= -.90408391E+02 E0= -.90415088E+02 d E =0.200899E-01