iterations/neb0_image09_iter264_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 0.374179751939E+03 0.37418E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.330464833395E+01 -0.37088E+03 -0.35820E+03 869 0.196E+02
DAV: 3 -0.968672141184E+02 -0.10017E+03 -0.99847E+02 669 0.117E+02
DAV: 4 -0.101301085614E+03 -0.44339E+01 -0.44235E+01 720 0.283E+01
DAV: 5 -0.101386995474E+03 -0.85910E-01 -0.85873E-01 728 0.358E+00 0.227E+01
DAV: 6 -0.926855496036E+02 0.87014E+01 -0.31054E+01 728 0.302E+01 0.119E+01
DAV: 7 -0.918122951030E+02 0.87325E+00 -0.17276E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914359158531E+02 0.37638E+00 -0.54282E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913548182250E+02 0.81098E-01 -0.13260E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913466340900E+02 0.81841E-02 -0.45080E-02 752 0.109E+00 0.303E-01
DAV: 11 -0.913511841109E+02 -0.45500E-02 -0.12994E-02 608 0.595E-01 0.140E-01
DAV: 12 -0.913542710492E+02 -0.30869E-02 -0.28856E-03 623 0.235E-01 0.113E-01
DAV: 13 -0.913578359122E+02 -0.35649E-02 -0.17910E-03 717 0.227E-01 0.421E-02
DAV: 14 -0.913611728848E+02 -0.33370E-02 -0.55094E-04 656 0.129E-01 0.294E-02
DAV: 15 -0.913625852079E+02 -0.14123E-02 -0.13274E-04 672 0.673E-02 0.298E-02
DAV: 16 -0.913638578891E+02 -0.12727E-02 -0.29957E-04 645 0.887E-02 0.188E-02
DAV: 17 -0.913640964633E+02 -0.23857E-03 -0.36433E-05 624 0.448E-02 0.127E-02
DAV: 18 -0.913643448209E+02 -0.24836E-03 -0.55588E-05 637 0.376E-02 0.992E-03
DAV: 19 -0.913644305439E+02 -0.85723E-04 -0.83236E-06 464 0.201E-02 0.504E-03
DAV: 20 -0.913644627760E+02 -0.32232E-04 -0.14571E-05 456 0.219E-02 0.337E-03
DAV: 21 -0.913644751797E+02 -0.12404E-04 -0.22146E-06 469 0.932E-03 0.240E-03
DAV: 22 -0.913644829892E+02 -0.78095E-05 -0.22056E-06 426 0.895E-03
1 F= -.91364483E+02 E0= -.91369252E+02 d E =0.143062E-01