iterations/neb0_image02_iter53_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 0.368018860124E+03 0.36802E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.461984983379E+01 -0.36340E+03 -0.34859E+03 834 0.195E+02
DAV: 3 -0.956937151312E+02 -0.10031E+03 -0.99978E+02 688 0.116E+02
DAV: 4 -0.100169520003E+03 -0.44758E+01 -0.44656E+01 696 0.279E+01
DAV: 5 -0.100256525773E+03 -0.87006E-01 -0.86964E-01 736 0.348E+00 0.222E+01
DAV: 6 -0.916485635713E+02 0.86080E+01 -0.30962E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908235316584E+02 0.82503E+00 -0.18273E+00 704 0.634E+00 0.484E+00
DAV: 8 -0.904350099598E+02 0.38852E+00 -0.56334E-01 696 0.430E+00 0.169E+00
DAV: 9 -0.903444051787E+02 0.90605E-01 -0.14042E-01 704 0.167E+00 0.436E-01
DAV: 10 -0.903377427547E+02 0.66624E-02 -0.45449E-02 712 0.126E+00 0.319E-01
DAV: 11 -0.903414175301E+02 -0.36748E-02 -0.70622E-03 605 0.473E-01 0.150E-01
DAV: 12 -0.903447145987E+02 -0.32971E-02 -0.66208E-03 621 0.458E-01 0.124E-01
DAV: 13 -0.903476784376E+02 -0.29638E-02 -0.11695E-03 848 0.304E-01 0.797E-02
DAV: 14 -0.903507661579E+02 -0.30877E-02 -0.15688E-03 629 0.188E-01 0.582E-02
DAV: 15 -0.903533689535E+02 -0.26028E-02 -0.55503E-04 725 0.154E-01 0.409E-02
DAV: 16 -0.903544062084E+02 -0.10373E-02 -0.46880E-04 672 0.115E-01 0.333E-02
DAV: 17 -0.903553582647E+02 -0.95206E-03 -0.18908E-04 812 0.879E-02 0.174E-02
DAV: 18 -0.903555364624E+02 -0.17820E-03 -0.38720E-05 704 0.316E-02 0.116E-02
DAV: 19 -0.903557868437E+02 -0.25038E-03 -0.42049E-05 558 0.324E-02 0.580E-03
DAV: 20 -0.903558337343E+02 -0.46891E-04 -0.36900E-06 480 0.146E-02 0.413E-03
DAV: 21 -0.903558870110E+02 -0.53277E-04 -0.11722E-05 417 0.193E-02 0.255E-03
DAV: 22 -0.903558993469E+02 -0.12336E-04 -0.25078E-06 477 0.889E-03 0.216E-03
DAV: 23 -0.903559026049E+02 -0.32580E-05 -0.85601E-07 440 0.502E-03
1 F= -.90355903E+02 E0= -.90361855E+02 d E =0.178583E-01