./iterations/neb0_image02_iter47_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 0.368495659949E+03 0.36850E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.469596603003E+01 -0.36380E+03 -0.34902E+03 834 0.195E+02
DAV: 3 -0.956606008983E+02 -0.10036E+03 -0.10002E+03 680 0.117E+02
DAV: 4 -0.100188512982E+03 -0.45279E+01 -0.45179E+01 696 0.283E+01
DAV: 5 -0.100275881121E+03 -0.87368E-01 -0.87327E-01 736 0.354E+00 0.223E+01
DAV: 6 -0.916462237845E+02 0.86297E+01 -0.30914E+01 704 0.299E+01 0.117E+01
DAV: 7 -0.908169782858E+02 0.82925E+00 -0.18383E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904290210504E+02 0.38796E+00 -0.55552E-01 688 0.425E+00 0.170E+00
DAV: 9 -0.903371823396E+02 0.91839E-01 -0.14250E-01 696 0.169E+00 0.436E-01
DAV: 10 -0.903305399077E+02 0.66424E-02 -0.45192E-02 712 0.126E+00 0.316E-01
DAV: 11 -0.903341785454E+02 -0.36386E-02 -0.70906E-03 605 0.474E-01 0.149E-01
DAV: 12 -0.903374881963E+02 -0.33097E-02 -0.65175E-03 621 0.454E-01 0.124E-01
DAV: 13 -0.903403789753E+02 -0.28908E-02 -0.11042E-03 816 0.294E-01 0.766E-02
DAV: 14 -0.903435594532E+02 -0.31805E-02 -0.15684E-03 637 0.194E-01 0.576E-02
DAV: 15 -0.903460149991E+02 -0.24555E-02 -0.46186E-04 706 0.143E-01 0.384E-02
DAV: 16 -0.903472096803E+02 -0.11947E-02 -0.51064E-04 664 0.122E-01 0.341E-02
DAV: 17 -0.903481434103E+02 -0.93373E-03 -0.18386E-04 847 0.903E-02 0.175E-02
DAV: 18 -0.903482888525E+02 -0.14544E-03 -0.34150E-05 712 0.308E-02 0.114E-02
DAV: 19 -0.903485848907E+02 -0.29604E-03 -0.49060E-05 569 0.353E-02 0.461E-03
DAV: 20 -0.903486299070E+02 -0.45016E-04 -0.41956E-06 480 0.124E-02 0.426E-03
DAV: 21 -0.903486823194E+02 -0.52412E-04 -0.69284E-06 409 0.154E-02 0.204E-03
DAV: 22 -0.903487017735E+02 -0.19454E-04 -0.43792E-06 477 0.893E-03 0.249E-03
DAV: 23 -0.903487038552E+02 -0.20817E-05 -0.63779E-07 520 0.499E-03
1 F= -.90348704E+02 E0= -.90354477E+02 d E =0.173185E-01