iterations/neb0_image07_iter132_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 0.375858171566E+03 0.37586E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.346784382756E+01 -0.37239E+03 -0.35976E+03 877 0.196E+02
DAV: 3 -0.966029329957E+02 -0.10007E+03 -0.99751E+02 677 0.117E+02
DAV: 4 -0.101021614851E+03 -0.44187E+01 -0.44060E+01 720 0.278E+01
DAV: 5 -0.101108905389E+03 -0.87291E-01 -0.87257E-01 728 0.352E+00 0.226E+01
DAV: 6 -0.925262274147E+02 0.85827E+01 -0.30755E+01 712 0.302E+01 0.118E+01
DAV: 7 -0.916756519172E+02 0.85058E+00 -0.16614E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.912987373604E+02 0.37691E+00 -0.54968E-01 712 0.399E+00 0.163E+00
DAV: 9 -0.912161549133E+02 0.82582E-01 -0.12997E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.912069415502E+02 0.92134E-02 -0.45624E-02 749 0.109E+00 0.304E-01
DAV: 11 -0.912118529882E+02 -0.49114E-02 -0.13343E-02 608 0.605E-01 0.152E-01
DAV: 12 -0.912145882249E+02 -0.27352E-02 -0.27888E-03 641 0.244E-01 0.127E-01
DAV: 13 -0.912183374045E+02 -0.37492E-02 -0.20405E-03 656 0.263E-01 0.487E-02
DAV: 14 -0.912209133352E+02 -0.25759E-02 -0.48248E-04 661 0.110E-01 0.404E-02
DAV: 15 -0.912234067803E+02 -0.24934E-02 -0.24787E-04 645 0.734E-02 0.351E-02
DAV: 16 -0.912243417417E+02 -0.93496E-03 -0.27327E-04 688 0.803E-02 0.180E-02
DAV: 17 -0.912249194051E+02 -0.57766E-03 -0.74534E-05 637 0.476E-02 0.105E-02
DAV: 18 -0.912250910950E+02 -0.17169E-03 -0.20194E-05 496 0.225E-02 0.754E-03
DAV: 19 -0.912251357083E+02 -0.44613E-04 -0.95692E-06 493 0.209E-02 0.396E-03
DAV: 20 -0.912251614769E+02 -0.25769E-04 -0.71169E-06 439 0.166E-02 0.467E-03
DAV: 21 -0.912251931752E+02 -0.31698E-04 -0.47898E-06 401 0.110E-02 0.304E-03
DAV: 22 -0.912251985667E+02 -0.53915E-05 -0.22857E-06 472 0.887E-03
1 F= -.91225199E+02 E0= -.91230618E+02 d E =0.162572E-01