iterations/neb0_image02_iter254_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 0.366285518150E+03 0.36629E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.736171737400E+00 -0.36555E+03 -0.35492E+03 869 0.196E+02
DAV: 3 -0.956017435566E+02 -0.96338E+02 -0.96009E+02 621 0.116E+02
DAV: 4 -0.100258239469E+03 -0.46565E+01 -0.46466E+01 712 0.299E+01
DAV: 5 -0.100351761465E+03 -0.93522E-01 -0.93491E-01 752 0.379E+00 0.222E+01
DAV: 6 -0.916742360204E+02 0.86775E+01 -0.31009E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908521116896E+02 0.82212E+00 -0.18125E+00 720 0.634E+00 0.485E+00
DAV: 8 -0.904718287621E+02 0.38028E+00 -0.55319E-01 704 0.430E+00 0.170E+00
DAV: 9 -0.903873627651E+02 0.84466E-01 -0.13437E-01 720 0.166E+00 0.426E-01
DAV: 10 -0.903830305978E+02 0.43322E-02 -0.48610E-02 712 0.123E+00 0.329E-01
DAV: 11 -0.903869813156E+02 -0.39507E-02 -0.81463E-03 624 0.626E-01 0.113E-01
DAV: 12 -0.903898983214E+02 -0.29170E-02 -0.61738E-03 632 0.391E-01 0.134E-01
DAV: 13 -0.903925210151E+02 -0.26227E-02 -0.18548E-03 869 0.325E-01 0.817E-02
DAV: 14 -0.903956066975E+02 -0.30857E-02 -0.12903E-03 612 0.168E-01 0.702E-02
DAV: 15 -0.903974214275E+02 -0.18147E-02 -0.30279E-04 680 0.102E-01 0.518E-02
DAV: 16 -0.903987893453E+02 -0.13679E-02 -0.95425E-04 680 0.181E-01 0.378E-02
DAV: 17 -0.903993841226E+02 -0.59478E-03 -0.13867E-04 752 0.837E-02 0.239E-02
DAV: 18 -0.903996207423E+02 -0.23662E-03 -0.68387E-05 680 0.408E-02 0.829E-03
DAV: 19 -0.903998466478E+02 -0.22591E-03 -0.33708E-05 577 0.266E-02 0.448E-03
DAV: 20 -0.903998799304E+02 -0.33283E-04 -0.27808E-06 512 0.116E-02 0.418E-03
DAV: 21 -0.903999332703E+02 -0.53340E-04 -0.10921E-05 398 0.169E-02 0.374E-03
DAV: 22 -0.903999384637E+02 -0.51934E-05 -0.23300E-06 496 0.989E-03
1 F= -.90399938E+02 E0= -.90406952E+02 d E =0.210392E-01