./iterations/neb0_image07_iter91_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 0.376453615203E+03 0.37645E+03 -0.14275E+04 624 0.799E+02
DAV: 2 0.340449012557E+01 -0.37305E+03 -0.36105E+03 877 0.196E+02
DAV: 3 -0.963252133661E+02 -0.99730E+02 -0.99399E+02 664 0.117E+02
DAV: 4 -0.100860855952E+03 -0.45356E+01 -0.45249E+01 696 0.287E+01
DAV: 5 -0.100952015262E+03 -0.91159E-01 -0.91121E-01 728 0.366E+00 0.226E+01
DAV: 6 -0.923629711404E+02 0.85890E+01 -0.30704E+01 709 0.303E+01 0.118E+01
DAV: 7 -0.915051142680E+02 0.85786E+00 -0.16629E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.911244455968E+02 0.38067E+00 -0.56327E-01 704 0.405E+00 0.162E+00
DAV: 9 -0.910404860094E+02 0.83960E-01 -0.13174E-01 728 0.155E+00 0.426E-01
DAV: 10 -0.910310401663E+02 0.94458E-02 -0.46758E-02 717 0.110E+00 0.306E-01
DAV: 11 -0.910356051386E+02 -0.45650E-02 -0.11788E-02 616 0.565E-01 0.137E-01
DAV: 12 -0.910388495773E+02 -0.32444E-02 -0.36351E-03 619 0.280E-01 0.145E-01
DAV: 13 -0.910425245078E+02 -0.36749E-02 -0.25920E-03 752 0.317E-01 0.545E-02
DAV: 14 -0.910450831003E+02 -0.25586E-02 -0.60837E-04 645 0.115E-01 0.571E-02
DAV: 15 -0.910476683255E+02 -0.25852E-02 -0.30857E-04 653 0.862E-02 0.325E-02
DAV: 16 -0.910486936979E+02 -0.10254E-02 -0.33962E-04 672 0.909E-02 0.265E-02
DAV: 17 -0.910492572630E+02 -0.56357E-03 -0.11358E-04 645 0.663E-02 0.102E-02
DAV: 18 -0.910493923823E+02 -0.13512E-03 -0.20092E-05 504 0.248E-02 0.726E-03
DAV: 19 -0.910494920596E+02 -0.99677E-04 -0.23651E-05 474 0.287E-02 0.407E-03
DAV: 20 -0.910495109046E+02 -0.18845E-04 -0.52401E-06 504 0.125E-02 0.454E-03
DAV: 21 -0.910495215114E+02 -0.10607E-04 -0.20125E-06 423 0.917E-03 0.244E-03
DAV: 22 -0.910495333148E+02 -0.11803E-04 -0.26288E-06 409 0.930E-03 0.113E-03
DAV: 23 -0.910495349253E+02 -0.16105E-05 -0.55501E-07 504 0.371E-03
1 F= -.91049535E+02 E0= -.91054488E+02 d E =0.148601E-01