./iterations/neb0_image06_iter224_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 0.372873564787E+03 0.37287E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.459051863658E+01 -0.36828E+03 -0.35598E+03 866 0.194E+02
DAV: 3 -0.953557409208E+02 -0.99946E+02 -0.99583E+02 656 0.116E+02
DAV: 4 -0.100207303536E+03 -0.48516E+01 -0.48363E+01 728 0.293E+01
DAV: 5 -0.100308566466E+03 -0.10126E+00 -0.10122E+00 733 0.377E+00 0.224E+01
DAV: 6 -0.917720024825E+02 0.85366E+01 -0.30300E+01 704 0.302E+01 0.118E+01
DAV: 7 -0.909513743765E+02 0.82063E+00 -0.17589E+00 704 0.631E+00 0.481E+00
DAV: 8 -0.905761565620E+02 0.37522E+00 -0.56553E-01 696 0.420E+00 0.166E+00
DAV: 9 -0.904870495533E+02 0.89107E-01 -0.12918E-01 720 0.161E+00 0.429E-01
DAV: 10 -0.904768325178E+02 0.10217E-01 -0.36324E-02 728 0.938E-01 0.287E-01
DAV: 11 -0.904809758130E+02 -0.41433E-02 -0.10043E-02 605 0.520E-01 0.156E-01
DAV: 12 -0.904833289186E+02 -0.23531E-02 -0.29267E-03 620 0.310E-01 0.829E-02
DAV: 13 -0.904872350394E+02 -0.39061E-02 -0.16996E-03 617 0.191E-01 0.696E-02
DAV: 14 -0.904905879292E+02 -0.33529E-02 -0.99730E-04 728 0.227E-01 0.379E-02
DAV: 15 -0.904924743052E+02 -0.18864E-02 -0.29463E-04 717 0.995E-02 0.363E-02
DAV: 16 -0.904940616214E+02 -0.15873E-02 -0.35032E-04 714 0.108E-01 0.171E-02
DAV: 17 -0.904947865978E+02 -0.72498E-03 -0.10186E-04 717 0.551E-02 0.129E-02
DAV: 18 -0.904950074426E+02 -0.22084E-03 -0.19839E-05 544 0.186E-02 0.796E-03
DAV: 19 -0.904951466450E+02 -0.13920E-03 -0.23748E-05 495 0.249E-02 0.223E-03
DAV: 20 -0.904951696205E+02 -0.22975E-04 -0.35874E-06 496 0.939E-03 0.252E-03
DAV: 21 -0.904951855249E+02 -0.15904E-04 -0.22639E-06 398 0.662E-03 0.103E-03
DAV: 22 -0.904951873737E+02 -0.18488E-05 -0.66361E-07 458 0.363E-03
1 F= -.90495187E+02 E0= -.90499959E+02 d E =0.143137E-01