./iterations/neb0_image06_iter86_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 0.375724020314E+03 0.37572E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.366040758838E+01 -0.37206E+03 -0.35982E+03 877 0.195E+02
DAV: 3 -0.955639873089E+02 -0.99224E+02 -0.98902E+02 648 0.117E+02
DAV: 4 -0.100186162721E+03 -0.46222E+01 -0.46110E+01 712 0.293E+01
DAV: 5 -0.100280480103E+03 -0.94317E-01 -0.94281E-01 744 0.373E+00 0.227E+01
DAV: 6 -0.916324367445E+02 0.86480E+01 -0.30938E+01 690 0.307E+01 0.118E+01
DAV: 7 -0.907985187457E+02 0.83392E+00 -0.17184E+00 720 0.628E+00 0.481E+00
DAV: 8 -0.904163551622E+02 0.38216E+00 -0.52380E-01 712 0.402E+00 0.168E+00
DAV: 9 -0.903240557679E+02 0.92299E-01 -0.13288E-01 720 0.161E+00 0.423E-01
DAV: 10 -0.903141525829E+02 0.99032E-02 -0.44382E-02 728 0.108E+00 0.305E-01
DAV: 11 -0.903187750800E+02 -0.46225E-02 -0.12875E-02 615 0.642E-01 0.167E-01
DAV: 12 -0.903206237151E+02 -0.18486E-02 -0.22706E-03 672 0.250E-01 0.121E-01
DAV: 13 -0.903254416360E+02 -0.48179E-02 -0.36299E-03 646 0.381E-01 0.729E-02
DAV: 14 -0.903268888831E+02 -0.14472E-02 -0.50510E-04 720 0.155E-01 0.519E-02
DAV: 15 -0.903299399790E+02 -0.30511E-02 -0.81781E-04 652 0.159E-01 0.403E-02
DAV: 16 -0.903312258340E+02 -0.12859E-02 -0.21232E-04 701 0.734E-02 0.310E-02
DAV: 17 -0.903319834881E+02 -0.75765E-03 -0.14572E-04 730 0.813E-02 0.132E-02
DAV: 18 -0.903325409517E+02 -0.55746E-03 -0.10123E-04 666 0.543E-02 0.137E-02
DAV: 19 -0.903326979785E+02 -0.15703E-03 -0.10621E-05 477 0.175E-02 0.120E-02
DAV: 20 -0.903327852025E+02 -0.87224E-04 -0.18244E-05 506 0.277E-02 0.456E-03
DAV: 21 -0.903328359715E+02 -0.50769E-04 -0.83748E-06 466 0.149E-02 0.300E-03
DAV: 22 -0.903328532865E+02 -0.17315E-04 -0.35006E-06 458 0.107E-02 0.400E-03
DAV: 23 -0.903328611890E+02 -0.79025E-05 -0.17801E-06 425 0.985E-03
1 F= -.90332861E+02 E0= -.90337877E+02 d E =0.150469E-01