./iterations/neb0_image07_iter210_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 0.370254806540E+03 0.37025E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.354726188613E+01 -0.36671E+03 -0.35468E+03 869 0.194E+02
DAV: 3 -0.966384214662E+02 -0.10019E+03 -0.99895E+02 704 0.116E+02
DAV: 4 -0.101040579990E+03 -0.44022E+01 -0.43902E+01 704 0.272E+01
DAV: 5 -0.101128569541E+03 -0.87990E-01 -0.87930E-01 736 0.345E+00 0.225E+01
DAV: 6 -0.925578428460E+02 0.85707E+01 -0.30765E+01 728 0.298E+01 0.118E+01
DAV: 7 -0.917162714393E+02 0.84157E+00 -0.17166E+00 712 0.618E+00 0.479E+00
DAV: 8 -0.913442255549E+02 0.37205E+00 -0.53921E-01 728 0.396E+00 0.162E+00
DAV: 9 -0.912631448800E+02 0.81081E-01 -0.12840E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.912545096966E+02 0.86352E-02 -0.38980E-02 720 0.102E+00 0.282E-01
DAV: 11 -0.912588982785E+02 -0.43886E-02 -0.10963E-02 616 0.544E-01 0.143E-01
DAV: 12 -0.912618135850E+02 -0.29153E-02 -0.23184E-03 632 0.250E-01 0.905E-02
DAV: 13 -0.912656669271E+02 -0.38533E-02 -0.16179E-03 623 0.201E-01 0.530E-02
DAV: 14 -0.912683372475E+02 -0.26703E-02 -0.68294E-04 813 0.207E-01 0.398E-02
DAV: 15 -0.912702556835E+02 -0.19184E-02 -0.39706E-04 653 0.105E-01 0.338E-02
DAV: 16 -0.912712617134E+02 -0.10060E-02 -0.16709E-04 752 0.787E-02 0.159E-02
DAV: 17 -0.912720751254E+02 -0.81341E-03 -0.12850E-04 725 0.586E-02 0.148E-02
DAV: 18 -0.912722878729E+02 -0.21275E-03 -0.14749E-05 496 0.249E-02 0.968E-03
DAV: 19 -0.912724546503E+02 -0.16678E-03 -0.50230E-05 612 0.385E-02 0.741E-03
DAV: 20 -0.912724719112E+02 -0.17261E-04 -0.47000E-06 520 0.200E-02 0.358E-03
DAV: 21 -0.912724855178E+02 -0.13607E-04 -0.38010E-06 412 0.103E-02 0.124E-03
DAV: 22 -0.912725030959E+02 -0.17578E-04 -0.21344E-06 417 0.617E-03 0.743E-04
DAV: 23 -0.912725058052E+02 -0.27094E-05 -0.77542E-07 490 0.389E-03
1 F= -.91272506E+02 E0= -.91277599E+02 d E =0.152803E-01