./iterations/neb0_image09_iter6_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 0.372291968267E+03 0.37229E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.217622781501E+01 -0.37012E+03 -0.35761E+03 877 0.196E+02
DAV: 3 -0.967181510936E+02 -0.98894E+02 -0.98572E+02 680 0.116E+02
DAV: 4 -0.101004251816E+03 -0.42861E+01 -0.42754E+01 704 0.275E+01
DAV: 5 -0.101089388710E+03 -0.85137E-01 -0.85089E-01 744 0.348E+00 0.226E+01
DAV: 6 -0.923566275909E+02 0.87328E+01 -0.30944E+01 704 0.299E+01 0.118E+01
DAV: 7 -0.914596358707E+02 0.89699E+00 -0.17507E+00 728 0.630E+00 0.479E+00
DAV: 8 -0.910750606085E+02 0.38458E+00 -0.57423E-01 712 0.409E+00 0.165E+00
DAV: 9 -0.909939364105E+02 0.81124E-01 -0.13147E-01 712 0.161E+00 0.441E-01
DAV: 10 -0.909847980318E+02 0.91384E-02 -0.31785E-02 736 0.916E-01 0.272E-01
DAV: 11 -0.909885234673E+02 -0.37254E-02 -0.10409E-02 605 0.574E-01 0.152E-01
DAV: 12 -0.909904774210E+02 -0.19540E-02 -0.16069E-03 680 0.259E-01 0.982E-02
DAV: 13 -0.909953983520E+02 -0.49209E-02 -0.37012E-03 622 0.371E-01 0.785E-02
DAV: 14 -0.909966700479E+02 -0.12717E-02 -0.54026E-04 768 0.186E-01 0.480E-02
DAV: 15 -0.909993166324E+02 -0.26466E-02 -0.11119E-03 690 0.206E-01 0.435E-02
DAV: 16 -0.910006680949E+02 -0.13515E-02 -0.22889E-04 744 0.112E-01 0.254E-02
DAV: 17 -0.910018624401E+02 -0.11943E-02 -0.19428E-04 637 0.679E-02 0.848E-03
DAV: 18 -0.910023106039E+02 -0.44816E-03 -0.52735E-05 616 0.357E-02 0.131E-02
DAV: 19 -0.910024396755E+02 -0.12907E-03 -0.80274E-06 480 0.239E-02 0.779E-03
DAV: 20 -0.910025459626E+02 -0.10629E-03 -0.39035E-05 598 0.319E-02 0.713E-03
DAV: 21 -0.910025477452E+02 -0.17825E-05 -0.24304E-06 536 0.125E-02
1 F= -.91002548E+02 E0= -.91006474E+02 d E =0.117788E-01