iterations/neb0_image07_iter130_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 0.375438389788E+03 0.37544E+03 -0.14274E+04 624 0.799E+02
DAV: 2 0.342390702095E+01 -0.37201E+03 -0.35940E+03 877 0.195E+02
DAV: 3 -0.965627451469E+02 -0.99987E+02 -0.99667E+02 677 0.117E+02
DAV: 4 -0.100986052026E+03 -0.44233E+01 -0.44104E+01 712 0.278E+01
DAV: 5 -0.101073887683E+03 -0.87836E-01 -0.87800E-01 736 0.353E+00 0.226E+01
DAV: 6 -0.925136660998E+02 0.85602E+01 -0.30764E+01 712 0.302E+01 0.118E+01
DAV: 7 -0.916717276536E+02 0.84194E+00 -0.16536E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.912957859976E+02 0.37594E+00 -0.54800E-01 712 0.399E+00 0.163E+00
DAV: 9 -0.912131469173E+02 0.82639E-01 -0.12962E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.912039132172E+02 0.92337E-02 -0.46004E-02 749 0.109E+00 0.304E-01
DAV: 11 -0.912089185507E+02 -0.50053E-02 -0.13729E-02 608 0.613E-01 0.156E-01
DAV: 12 -0.912115357196E+02 -0.26172E-02 -0.27823E-03 650 0.242E-01 0.128E-01
DAV: 13 -0.912153478292E+02 -0.38121E-02 -0.22590E-03 645 0.274E-01 0.507E-02
DAV: 14 -0.912178470623E+02 -0.24992E-02 -0.44740E-04 672 0.109E-01 0.397E-02
DAV: 15 -0.912203946450E+02 -0.25476E-02 -0.26759E-04 634 0.734E-02 0.332E-02
DAV: 16 -0.912212482424E+02 -0.85360E-03 -0.23238E-04 688 0.740E-02 0.165E-02
DAV: 17 -0.912218698509E+02 -0.62161E-03 -0.68908E-05 637 0.410E-02 0.107E-02
DAV: 18 -0.912220352618E+02 -0.16541E-03 -0.16714E-05 488 0.202E-02 0.607E-03
DAV: 19 -0.912220885236E+02 -0.53262E-04 -0.94968E-06 461 0.188E-02 0.349E-03
DAV: 20 -0.912221114595E+02 -0.22936E-04 -0.40873E-06 466 0.125E-02 0.362E-03
DAV: 21 -0.912221364154E+02 -0.24956E-04 -0.40595E-06 409 0.103E-02 0.218E-03
DAV: 22 -0.912221395278E+02 -0.31123E-05 -0.16273E-06 496 0.714E-03
1 F= -.91222140E+02 E0= -.91227387E+02 d E =0.157418E-01