./iterations/neb0_image07_iter53_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 0.373778992057E+03 0.37378E+03 -0.14307E+04 632 0.799E+02
DAV: 2 0.381423430835E+01 -0.36996E+03 -0.35712E+03 861 0.195E+02
DAV: 3 -0.962674961524E+02 -0.10008E+03 -0.99743E+02 672 0.117E+02
DAV: 4 -0.100713353609E+03 -0.44459E+01 -0.44355E+01 704 0.283E+01
DAV: 5 -0.100801826253E+03 -0.88473E-01 -0.88436E-01 720 0.357E+00 0.226E+01
DAV: 6 -0.922421666893E+02 0.85597E+01 -0.30611E+01 690 0.302E+01 0.118E+01
DAV: 7 -0.913849314172E+02 0.85724E+00 -0.16503E+00 736 0.616E+00 0.481E+00
DAV: 8 -0.910028491774E+02 0.38208E+00 -0.56904E-01 704 0.414E+00 0.162E+00
DAV: 9 -0.909179804047E+02 0.84869E-01 -0.12997E-01 712 0.156E+00 0.429E-01
DAV: 10 -0.909078126441E+02 0.10168E-01 -0.48351E-02 720 0.112E+00 0.312E-01
DAV: 11 -0.909121383116E+02 -0.43257E-02 -0.11593E-02 613 0.570E-01 0.135E-01
DAV: 12 -0.909153857070E+02 -0.32474E-02 -0.38339E-03 603 0.299E-01 0.146E-01
DAV: 13 -0.909188112723E+02 -0.34256E-02 -0.21166E-03 749 0.302E-01 0.568E-02
DAV: 14 -0.909213977267E+02 -0.25865E-02 -0.78238E-04 672 0.128E-01 0.544E-02
DAV: 15 -0.909241756423E+02 -0.27779E-02 -0.30255E-04 642 0.845E-02 0.377E-02
DAV: 16 -0.909254675128E+02 -0.12919E-02 -0.38138E-04 677 0.988E-02 0.236E-02
DAV: 17 -0.909261337351E+02 -0.66622E-03 -0.10130E-04 653 0.597E-02 0.114E-02
DAV: 18 -0.909263404839E+02 -0.20675E-03 -0.32716E-05 624 0.262E-02 0.713E-03
DAV: 19 -0.909264079430E+02 -0.67459E-04 -0.66069E-06 440 0.179E-02 0.306E-03
DAV: 20 -0.909264441532E+02 -0.36210E-04 -0.53432E-06 474 0.120E-02 0.284E-03
DAV: 21 -0.909264654158E+02 -0.21263E-04 -0.25900E-06 429 0.706E-03 0.180E-03
DAV: 22 -0.909264696962E+02 -0.42804E-05 -0.10487E-06 480 0.552E-03
1 F= -.90926470E+02 E0= -.90931797E+02 d E =0.159827E-01