iterations/neb0_image07_iter205_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 0.370530059296E+03 0.37053E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.304774101614E+01 -0.36748E+03 -0.35527E+03 877 0.194E+02
DAV: 3 -0.963763518829E+02 -0.99424E+02 -0.99131E+02 672 0.116E+02
DAV: 4 -0.101045693786E+03 -0.46693E+01 -0.46561E+01 720 0.286E+01
DAV: 5 -0.101140039024E+03 -0.94345E-01 -0.94292E-01 720 0.365E+00 0.226E+01
DAV: 6 -0.925607852019E+02 0.85793E+01 -0.30662E+01 725 0.298E+01 0.118E+01
DAV: 7 -0.917182587335E+02 0.84253E+00 -0.17221E+00 712 0.618E+00 0.479E+00
DAV: 8 -0.913469250434E+02 0.37133E+00 -0.53516E-01 728 0.395E+00 0.162E+00
DAV: 9 -0.912656484624E+02 0.81277E-01 -0.12866E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.912570321450E+02 0.86163E-02 -0.39242E-02 728 0.103E+00 0.284E-01
DAV: 11 -0.912614057445E+02 -0.43736E-02 -0.11113E-02 616 0.549E-01 0.143E-01
DAV: 12 -0.912642470325E+02 -0.28413E-02 -0.23201E-03 632 0.253E-01 0.894E-02
DAV: 13 -0.912681776607E+02 -0.39306E-02 -0.16702E-03 623 0.205E-01 0.544E-02
DAV: 14 -0.912707280232E+02 -0.25504E-02 -0.65543E-04 821 0.206E-01 0.395E-02
DAV: 15 -0.912727513446E+02 -0.20233E-02 -0.42269E-04 650 0.106E-01 0.341E-02
DAV: 16 -0.912737794429E+02 -0.10281E-02 -0.15078E-04 752 0.736E-02 0.159E-02
DAV: 17 -0.912746018185E+02 -0.82238E-03 -0.14566E-04 733 0.639E-02 0.156E-02
DAV: 18 -0.912748187775E+02 -0.21696E-03 -0.18531E-05 496 0.304E-02 0.963E-03
DAV: 19 -0.912749527897E+02 -0.13401E-03 -0.48075E-05 618 0.381E-02 0.793E-03
DAV: 20 -0.912749847552E+02 -0.31966E-04 -0.70364E-06 504 0.238E-02 0.304E-03
DAV: 21 -0.912750009291E+02 -0.16174E-04 -0.36622E-06 437 0.996E-03 0.150E-03
DAV: 22 -0.912750172394E+02 -0.16310E-04 -0.18275E-06 417 0.563E-03 0.139E-03
DAV: 23 -0.912750201352E+02 -0.28959E-05 -0.68854E-07 496 0.436E-03
1 F= -.91275020E+02 E0= -.91280056E+02 d E =0.151072E-01