./iterations/neb0_image02_iter181_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 0.366640934713E+03 0.36664E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.178525376322E+01 -0.36486E+03 -0.35353E+03 861 0.195E+02
DAV: 3 -0.958450090552E+02 -0.97630E+02 -0.97298E+02 664 0.116E+02
DAV: 4 -0.100223793646E+03 -0.43788E+01 -0.43690E+01 720 0.282E+01
DAV: 5 -0.100308263065E+03 -0.84469E-01 -0.84444E-01 752 0.353E+00 0.222E+01
DAV: 6 -0.916686048667E+02 0.86397E+01 -0.31129E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908599021200E+02 0.80870E+00 -0.18369E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904796756127E+02 0.38023E+00 -0.55098E-01 704 0.430E+00 0.170E+00
DAV: 9 -0.903923265477E+02 0.87349E-01 -0.13733E-01 712 0.168E+00 0.430E-01
DAV: 10 -0.903868479670E+02 0.54786E-02 -0.50122E-02 712 0.128E+00 0.331E-01
DAV: 11 -0.903904374699E+02 -0.35895E-02 -0.78734E-03 616 0.587E-01 0.125E-01
DAV: 12 -0.903935566084E+02 -0.31191E-02 -0.72625E-03 648 0.437E-01 0.139E-01
DAV: 13 -0.903960354774E+02 -0.24789E-02 -0.20189E-03 856 0.353E-01 0.822E-02
DAV: 14 -0.903992499675E+02 -0.32145E-02 -0.14486E-03 623 0.178E-01 0.713E-02
DAV: 15 -0.904011194305E+02 -0.18695E-02 -0.32693E-04 688 0.105E-01 0.550E-02
DAV: 16 -0.904026019539E+02 -0.14825E-02 -0.10982E-03 677 0.196E-01 0.402E-02
DAV: 17 -0.904033264050E+02 -0.72445E-03 -0.15535E-04 704 0.853E-02 0.285E-02
DAV: 18 -0.904036286671E+02 -0.30226E-03 -0.88766E-05 688 0.454E-02 0.108E-02
DAV: 19 -0.904038119862E+02 -0.18332E-03 -0.48735E-05 650 0.359E-02 0.774E-03
DAV: 20 -0.904038388886E+02 -0.26902E-04 -0.43082E-06 520 0.149E-02 0.580E-03
DAV: 21 -0.904038926110E+02 -0.53722E-04 -0.10682E-05 417 0.166E-02 0.345E-03
DAV: 22 -0.904039008340E+02 -0.82230E-05 -0.39577E-06 488 0.115E-02
1 F= -.90403901E+02 E0= -.90410622E+02 d E =0.201633E-01