./iterations/neb0_image02_iter299_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 0.366084144077E+03 0.36608E+03 -0.14303E+04 624 0.799E+02
DAV: 2 0.161071872079E+01 -0.36447E+03 -0.35255E+03 861 0.196E+02
DAV: 3 -0.956974206070E+02 -0.97308E+02 -0.96976E+02 648 0.116E+02
DAV: 4 -0.100290739911E+03 -0.45933E+01 -0.45820E+01 704 0.290E+01
DAV: 5 -0.100381295993E+03 -0.90556E-01 -0.90519E-01 720 0.366E+00 0.223E+01
DAV: 6 -0.916810879098E+02 0.87002E+01 -0.30892E+01 680 0.299E+01 0.118E+01
DAV: 7 -0.908467236909E+02 0.83436E+00 -0.18124E+00 712 0.633E+00 0.485E+00
DAV: 8 -0.904683052586E+02 0.37842E+00 -0.54836E-01 704 0.427E+00 0.169E+00
DAV: 9 -0.903864695878E+02 0.81836E-01 -0.12904E-01 720 0.179E+00 0.428E-01
DAV: 10 -0.903826434159E+02 0.38262E-02 -0.42105E-02 709 0.113E+00 0.321E-01
DAV: 11 -0.903871076408E+02 -0.44642E-02 -0.89887E-03 613 0.708E-01 0.122E-01
DAV: 12 -0.903891316138E+02 -0.20240E-02 -0.46471E-03 648 0.365E-01 0.110E-01
DAV: 13 -0.903926095303E+02 -0.34779E-02 -0.22515E-03 698 0.310E-01 0.850E-02
DAV: 14 -0.903954006862E+02 -0.27912E-02 -0.94891E-04 658 0.145E-01 0.578E-02
DAV: 15 -0.903970823229E+02 -0.16816E-02 -0.36455E-04 704 0.122E-01 0.231E-02
DAV: 16 -0.903987251555E+02 -0.16428E-02 -0.36250E-04 672 0.109E-01 0.305E-02
DAV: 17 -0.903991840868E+02 -0.45893E-03 -0.10097E-04 784 0.789E-02 0.195E-02
DAV: 18 -0.903993234681E+02 -0.13938E-03 -0.60202E-05 704 0.434E-02 0.129E-02
DAV: 19 -0.903995540880E+02 -0.23062E-03 -0.40999E-05 561 0.418E-02 0.562E-03
DAV: 20 -0.903996456471E+02 -0.91559E-04 -0.11569E-05 480 0.173E-02 0.458E-03
DAV: 21 -0.903996905731E+02 -0.44926E-04 -0.51825E-06 445 0.128E-02 0.165E-03
DAV: 22 -0.903997154620E+02 -0.24889E-04 -0.83666E-06 447 0.162E-02 0.460E-03
DAV: 23 -0.903997176975E+02 -0.22355E-05 -0.15512E-06 528 0.127E-02
1 F= -.90399718E+02 E0= -.90407759E+02 d E =0.241250E-01