./iterations/neb0_image07_iter92_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 0.376424586664E+03 0.37642E+03 -0.14274E+04 624 0.799E+02
DAV: 2 0.339647793925E+01 -0.37303E+03 -0.36103E+03 877 0.196E+02
DAV: 3 -0.963248460269E+02 -0.99721E+02 -0.99391E+02 664 0.117E+02
DAV: 4 -0.100859745033E+03 -0.45349E+01 -0.45242E+01 696 0.287E+01
DAV: 5 -0.100950901051E+03 -0.91156E-01 -0.91118E-01 728 0.366E+00 0.226E+01
DAV: 6 -0.923633337034E+02 0.85876E+01 -0.30706E+01 709 0.303E+01 0.118E+01
DAV: 7 -0.915062537104E+02 0.85708E+00 -0.16623E+00 728 0.614E+00 0.481E+00
DAV: 8 -0.911256913902E+02 0.38056E+00 -0.56266E-01 704 0.405E+00 0.162E+00
DAV: 9 -0.910417568147E+02 0.83935E-01 -0.13172E-01 728 0.155E+00 0.426E-01
DAV: 10 -0.910323296793E+02 0.94271E-02 -0.46798E-02 717 0.110E+00 0.306E-01
DAV: 11 -0.910368982831E+02 -0.45686E-02 -0.11824E-02 616 0.567E-01 0.137E-01
DAV: 12 -0.910401311378E+02 -0.32329E-02 -0.36231E-03 619 0.279E-01 0.146E-01
DAV: 13 -0.910438207844E+02 -0.36896E-02 -0.26412E-03 768 0.318E-01 0.549E-02
DAV: 14 -0.910463711617E+02 -0.25504E-02 -0.58946E-04 645 0.113E-01 0.570E-02
DAV: 15 -0.910489729950E+02 -0.26018E-02 -0.31865E-04 653 0.862E-02 0.317E-02
DAV: 16 -0.910499675948E+02 -0.99460E-03 -0.31580E-04 672 0.877E-02 0.256E-02
DAV: 17 -0.910505448785E+02 -0.57728E-03 -0.10616E-04 642 0.632E-02 0.106E-02
DAV: 18 -0.910506782493E+02 -0.13337E-03 -0.19708E-05 504 0.245E-02 0.709E-03
DAV: 19 -0.910507776193E+02 -0.99370E-04 -0.24724E-05 474 0.286E-02 0.453E-03
DAV: 20 -0.910507943840E+02 -0.16765E-04 -0.50419E-06 512 0.125E-02 0.457E-03
DAV: 21 -0.910508046993E+02 -0.10315E-04 -0.22218E-06 412 0.964E-03 0.224E-03
DAV: 22 -0.910508165545E+02 -0.11855E-04 -0.24643E-06 409 0.872E-03 0.105E-03
DAV: 23 -0.910508182539E+02 -0.16994E-05 -0.52369E-07 501 0.350E-03
1 F= -.91050818E+02 E0= -.91055731E+02 d E =0.147369E-01