iterations/neb0_image04_iter74_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 0.371097618855E+03 0.37110E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.456749984428E+01 -0.36653E+03 -0.35374E+03 850 0.195E+02
DAV: 3 -0.954478958365E+02 -0.10002E+03 -0.99709E+02 690 0.117E+02
DAV: 4 -0.997604348054E+02 -0.43125E+01 -0.43011E+01 712 0.274E+01
DAV: 5 -0.998429888839E+02 -0.82554E-01 -0.82516E-01 728 0.343E+00 0.222E+01
DAV: 6 -0.913559406877E+02 0.84870E+01 -0.30056E+01 671 0.295E+01 0.116E+01
DAV: 7 -0.905031359541E+02 0.85280E+00 -0.17251E+00 720 0.627E+00 0.479E+00
DAV: 8 -0.901043956707E+02 0.39874E+00 -0.55964E-01 712 0.427E+00 0.165E+00
DAV: 9 -0.900105309047E+02 0.93865E-01 -0.13602E-01 712 0.170E+00 0.434E-01
DAV: 10 -0.900014002110E+02 0.91307E-02 -0.54969E-02 733 0.130E+00 0.342E-01
DAV: 11 -0.900054606535E+02 -0.40604E-02 -0.11906E-02 623 0.612E-01 0.130E-01
DAV: 12 -0.900080039210E+02 -0.25433E-02 -0.39637E-03 645 0.281E-01 0.124E-01
DAV: 13 -0.900118669841E+02 -0.38631E-02 -0.15870E-03 845 0.315E-01 0.658E-02
DAV: 14 -0.900149706089E+02 -0.31036E-02 -0.98856E-04 650 0.147E-01 0.514E-02
DAV: 15 -0.900176136663E+02 -0.26431E-02 -0.38601E-04 709 0.109E-01 0.339E-02
DAV: 16 -0.900189069509E+02 -0.12933E-02 -0.38219E-04 688 0.102E-01 0.288E-02
DAV: 17 -0.900197368835E+02 -0.82993E-03 -0.18466E-04 844 0.863E-02 0.128E-02
DAV: 18 -0.900199658631E+02 -0.22898E-03 -0.31572E-05 608 0.332E-02 0.640E-03
DAV: 19 -0.900201204088E+02 -0.15455E-03 -0.26202E-05 494 0.213E-02 0.403E-03
DAV: 20 -0.900201320332E+02 -0.11624E-04 -0.14578E-06 528 0.767E-03 0.309E-03
DAV: 21 -0.900201716376E+02 -0.39604E-04 -0.69590E-06 403 0.138E-02 0.251E-03
DAV: 22 -0.900201730082E+02 -0.13707E-05 -0.99014E-07 536 0.617E-03
1 F= -.90020173E+02 E0= -.90024534E+02 d E =0.130835E-01