iterations/neb0_image01_iter70_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 0.366611617797E+03 0.36661E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.343166578309E+01 -0.36318E+03 -0.34976E+03 839 0.195E+02
DAV: 3 -0.957837755970E+02 -0.99215E+02 -0.98875E+02 688 0.116E+02
DAV: 4 -0.100199597839E+03 -0.44158E+01 -0.44065E+01 693 0.278E+01
DAV: 5 -0.100286843213E+03 -0.87245E-01 -0.87195E-01 744 0.349E+00 0.222E+01
DAV: 6 -0.916724144086E+02 0.86144E+01 -0.31215E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908627566959E+02 0.80966E+00 -0.18177E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904816535229E+02 0.38110E+00 -0.55453E-01 704 0.425E+00 0.168E+00
DAV: 9 -0.903962469129E+02 0.85407E-01 -0.13731E-01 696 0.164E+00 0.429E-01
DAV: 10 -0.903906203850E+02 0.56265E-02 -0.46488E-02 728 0.127E+00 0.319E-01
DAV: 11 -0.903943473267E+02 -0.37269E-02 -0.67873E-03 616 0.478E-01 0.149E-01
DAV: 12 -0.903978904718E+02 -0.35431E-02 -0.72673E-03 616 0.492E-01 0.129E-01
DAV: 13 -0.904007078559E+02 -0.28174E-02 -0.13768E-03 832 0.309E-01 0.782E-02
DAV: 14 -0.904035696418E+02 -0.28618E-02 -0.14704E-03 623 0.185E-01 0.599E-02
DAV: 15 -0.904058006396E+02 -0.22310E-02 -0.43762E-04 672 0.127E-01 0.460E-02
DAV: 16 -0.904070518497E+02 -0.12512E-02 -0.69550E-04 661 0.152E-01 0.347E-02
DAV: 17 -0.904079096102E+02 -0.85776E-03 -0.18842E-04 853 0.955E-02 0.199E-02
DAV: 18 -0.904080638564E+02 -0.15425E-03 -0.34774E-05 712 0.309E-02 0.142E-02
DAV: 19 -0.904083304861E+02 -0.26663E-03 -0.57811E-05 633 0.388E-02 0.456E-03
DAV: 20 -0.904083621745E+02 -0.31688E-04 -0.50859E-06 480 0.129E-02 0.513E-03
DAV: 21 -0.904084037955E+02 -0.41621E-04 -0.52142E-06 425 0.133E-02 0.372E-03
DAV: 22 -0.904084234435E+02 -0.19648E-04 -0.42288E-06 477 0.104E-02 0.265E-03
DAV: 23 -0.904084263328E+02 -0.28893E-05 -0.22219E-06 512 0.847E-03
1 F= -.90408426E+02 E0= -.90413618E+02 d E =0.155754E-01