iterations/neb0_image07_iter190_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 0.371703125102E+03 0.37170E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.340444303561E+01 -0.36830E+03 -0.35572E+03 869 0.194E+02
DAV: 3 -0.964910834063E+02 -0.99896E+02 -0.99574E+02 680 0.116E+02
DAV: 4 -0.101104566309E+03 -0.46135E+01 -0.46013E+01 704 0.283E+01
DAV: 5 -0.101198309517E+03 -0.93743E-01 -0.93687E-01 720 0.361E+00 0.227E+01
DAV: 6 -0.925777754087E+02 0.86205E+01 -0.30584E+01 736 0.299E+01 0.119E+01
DAV: 7 -0.917207556712E+02 0.85702E+00 -0.17441E+00 712 0.617E+00 0.479E+00
DAV: 8 -0.913490894622E+02 0.37167E+00 -0.52778E-01 728 0.394E+00 0.164E+00
DAV: 9 -0.912671239907E+02 0.81965E-01 -0.13157E-01 728 0.157E+00 0.420E-01
DAV: 10 -0.912586886507E+02 0.84353E-02 -0.42128E-02 733 0.108E+00 0.293E-01
DAV: 11 -0.912630109244E+02 -0.43223E-02 -0.11877E-02 616 0.572E-01 0.140E-01
DAV: 12 -0.912658500787E+02 -0.28392E-02 -0.24035E-03 634 0.248E-01 0.953E-02
DAV: 13 -0.912698196708E+02 -0.39696E-02 -0.17147E-03 634 0.210E-01 0.505E-02
DAV: 14 -0.912725813850E+02 -0.27617E-02 -0.59335E-04 757 0.188E-01 0.353E-02
DAV: 15 -0.912745553550E+02 -0.19740E-02 -0.38428E-04 658 0.994E-02 0.323E-02
DAV: 16 -0.912754002939E+02 -0.84494E-03 -0.13959E-04 752 0.754E-02 0.118E-02
DAV: 17 -0.912762270901E+02 -0.82680E-03 -0.11326E-04 722 0.529E-02 0.150E-02
DAV: 18 -0.912764157961E+02 -0.18871E-03 -0.16421E-05 496 0.303E-02 0.948E-03
DAV: 19 -0.912765527085E+02 -0.13691E-03 -0.51874E-05 615 0.411E-02 0.981E-03
DAV: 20 -0.912765844741E+02 -0.31766E-04 -0.89007E-06 496 0.281E-02 0.357E-03
DAV: 21 -0.912766053934E+02 -0.20919E-04 -0.50550E-06 420 0.118E-02 0.186E-03
DAV: 22 -0.912766217008E+02 -0.16307E-04 -0.26604E-06 417 0.867E-03 0.107E-03
DAV: 23 -0.912766240612E+02 -0.23604E-05 -0.13575E-06 504 0.597E-03
1 F= -.91276624E+02 E0= -.91281993E+02 d E =0.161065E-01