./iterations/neb0_image06_iter126_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 0.375107399517E+03 0.37511E+03 -0.14308E+04 632 0.799E+02
DAV: 2 0.379005386468E+01 -0.37132E+03 -0.35945E+03 882 0.195E+02
DAV: 3 -0.955244250049E+02 -0.99314E+02 -0.98999E+02 648 0.116E+02
DAV: 4 -0.100286196596E+03 -0.47618E+01 -0.47486E+01 704 0.294E+01
DAV: 5 -0.100384382077E+03 -0.98185E-01 -0.98138E-01 744 0.377E+00 0.226E+01
DAV: 6 -0.918247645744E+02 0.85596E+01 -0.30779E+01 709 0.305E+01 0.118E+01
DAV: 7 -0.910208889200E+02 0.80388E+00 -0.17516E+00 712 0.631E+00 0.480E+00
DAV: 8 -0.906453484584E+02 0.37554E+00 -0.49358E-01 720 0.399E+00 0.169E+00
DAV: 9 -0.905527098205E+02 0.92639E-01 -0.13780E-01 717 0.171E+00 0.418E-01
DAV: 10 -0.905440186823E+02 0.86911E-02 -0.40299E-02 800 0.106E+00 0.298E-01
DAV: 11 -0.905484540262E+02 -0.44353E-02 -0.14327E-02 602 0.710E-01 0.172E-01
DAV: 12 -0.905496665408E+02 -0.12125E-02 -0.22619E-03 674 0.289E-01 0.124E-01
DAV: 13 -0.905546000717E+02 -0.49335E-02 -0.54778E-03 689 0.508E-01 0.922E-02
DAV: 14 -0.905558412164E+02 -0.12411E-02 -0.96475E-04 720 0.197E-01 0.717E-02
DAV: 15 -0.905580864365E+02 -0.22452E-02 -0.83485E-04 653 0.165E-01 0.304E-02
DAV: 16 -0.905603816794E+02 -0.22952E-02 -0.37698E-04 639 0.987E-02 0.367E-02
DAV: 17 -0.905614457940E+02 -0.10641E-02 -0.11736E-04 733 0.934E-02 0.216E-02
DAV: 18 -0.905618346780E+02 -0.38888E-03 -0.24929E-04 688 0.103E-01 0.167E-02
DAV: 19 -0.905620026079E+02 -0.16793E-03 -0.33305E-05 573 0.398E-02 0.807E-03
DAV: 20 -0.905620913860E+02 -0.88778E-04 -0.19317E-05 477 0.244E-02 0.575E-03
DAV: 21 -0.905621599003E+02 -0.68514E-04 -0.29101E-05 478 0.281E-02 0.169E-02
DAV: 22 -0.905621602837E+02 -0.38342E-06 -0.37185E-06 525 0.102E-02
1 F= -.90562160E+02 E0= -.90568714E+02 d E =0.196613E-01