./iterations/neb0_image07_iter233_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 0.372038969171E+03 0.37204E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.385269192517E+01 -0.36819E+03 -0.35631E+03 866 0.194E+02
DAV: 3 -0.964992967321E+02 -0.10035E+03 -0.10004E+03 677 0.116E+02
DAV: 4 -0.101153567558E+03 -0.46543E+01 -0.46417E+01 696 0.285E+01
DAV: 5 -0.101246883249E+03 -0.93316E-01 -0.93254E-01 736 0.363E+00 0.227E+01
DAV: 6 -0.925961849125E+02 0.86507E+01 -0.30683E+01 720 0.299E+01 0.119E+01
DAV: 7 -0.917337549801E+02 0.86243E+00 -0.17411E+00 728 0.619E+00 0.481E+00
DAV: 8 -0.913585892586E+02 0.37517E+00 -0.54493E-01 728 0.397E+00 0.161E+00
DAV: 9 -0.912779142244E+02 0.80675E-01 -0.13106E-01 720 0.156E+00 0.421E-01
DAV: 10 -0.912691246073E+02 0.87896E-02 -0.40237E-02 736 0.104E+00 0.287E-01
DAV: 11 -0.912734521427E+02 -0.43275E-02 -0.11321E-02 608 0.549E-01 0.139E-01
DAV: 12 -0.912766638258E+02 -0.32117E-02 -0.26066E-03 624 0.270E-01 0.888E-02
DAV: 13 -0.912802350871E+02 -0.35713E-02 -0.12361E-03 639 0.167E-01 0.553E-02
DAV: 14 -0.912838036116E+02 -0.35685E-02 -0.11807E-03 757 0.256E-01 0.528E-02
DAV: 15 -0.912848509132E+02 -0.10473E-02 -0.36049E-04 704 0.125E-01 0.398E-02
DAV: 16 -0.912859517327E+02 -0.11008E-02 -0.27931E-04 733 0.934E-02 0.139E-02
DAV: 17 -0.912867755879E+02 -0.82386E-03 -0.95028E-05 672 0.466E-02 0.123E-02
DAV: 18 -0.912870722887E+02 -0.29670E-03 -0.22968E-05 584 0.191E-02 0.847E-03
DAV: 19 -0.912872046571E+02 -0.13237E-03 -0.22344E-05 512 0.258E-02 0.269E-03
DAV: 20 -0.912872401836E+02 -0.35526E-04 -0.45804E-06 477 0.105E-02 0.252E-03
DAV: 21 -0.912872498208E+02 -0.96373E-05 -0.16149E-06 448 0.581E-03
1 F= -.91287250E+02 E0= -.91292453E+02 d E =0.156095E-01