./iterations/neb0_image06_iter9_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 0.360591276804E+03 0.36059E+03 -0.14172E+04 624 0.799E+02
DAV: 2 0.548119243678E+01 -0.35511E+03 -0.34212E+03 866 0.192E+02
DAV: 3 -0.918024581065E+02 -0.97284E+02 -0.96707E+02 688 0.114E+02
DAV: 4 -0.965576779763E+02 -0.47552E+01 -0.47335E+01 704 0.281E+01
DAV: 5 -0.966629694365E+02 -0.10529E+00 -0.10523E+00 744 0.369E+00 0.215E+01
DAV: 6 -0.881970025879E+02 0.84660E+01 -0.32678E+01 693 0.316E+01 0.113E+01
DAV: 7 -0.874926703546E+02 0.70433E+00 -0.18686E+00 728 0.771E+00 0.497E+00
DAV: 8 -0.871120071196E+02 0.38066E+00 -0.63351E-01 712 0.453E+00 0.182E+00
DAV: 9 -0.870313815020E+02 0.80626E-01 -0.13245E-01 725 0.171E+00 0.623E-01
DAV: 10 -0.870136483469E+02 0.17733E-01 -0.44549E-02 720 0.108E+00 0.346E-01
DAV: 11 -0.870140488602E+02 -0.40051E-03 -0.68211E-03 768 0.650E-01 0.181E-01
DAV: 12 -0.870162133586E+02 -0.21645E-02 -0.56114E-03 596 0.384E-01 0.138E-01
DAV: 13 -0.870196109569E+02 -0.33976E-02 -0.17806E-03 754 0.284E-01 0.715E-02
DAV: 14 -0.870229351339E+02 -0.33242E-02 -0.17392E-03 631 0.214E-01 0.755E-02
DAV: 15 -0.870249377582E+02 -0.20026E-02 -0.61719E-04 816 0.209E-01 0.305E-02
DAV: 16 -0.870270018813E+02 -0.20641E-02 -0.50010E-04 658 0.112E-01 0.344E-02
DAV: 17 -0.870276852052E+02 -0.68332E-03 -0.59603E-05 776 0.581E-02 0.192E-02
DAV: 18 -0.870285901132E+02 -0.90491E-03 -0.20155E-04 711 0.807E-02 0.164E-02
DAV: 19 -0.870288231259E+02 -0.23301E-03 -0.28031E-05 589 0.472E-02 0.748E-03
DAV: 20 -0.870289869119E+02 -0.16379E-03 -0.35525E-05 642 0.267E-02 0.497E-03
DAV: 21 -0.870290460946E+02 -0.59183E-04 -0.54580E-06 469 0.184E-02 0.207E-03
DAV: 22 -0.870290875831E+02 -0.41489E-04 -0.10246E-05 412 0.150E-02 0.457E-03
DAV: 23 -0.870290919355E+02 -0.43524E-05 -0.14107E-06 520 0.107E-02
1 F= -.87029092E+02 E0= -.87037405E+02 d E =0.249387E-01