./iterations/neb0_image06_iter34_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 0.374116887420E+03 0.37412E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.444086502649E+01 -0.36968E+03 -0.35666E+03 858 0.195E+02
DAV: 3 -0.952073891078E+02 -0.99648E+02 -0.99312E+02 664 0.117E+02
DAV: 4 -0.996067464067E+02 -0.43994E+01 -0.43870E+01 728 0.285E+01
DAV: 5 -0.996943629735E+02 -0.87617E-01 -0.87592E-01 720 0.359E+00 0.225E+01
DAV: 6 -0.910628632292E+02 0.86315E+01 -0.30680E+01 679 0.306E+01 0.117E+01
DAV: 7 -0.902172567463E+02 0.84561E+00 -0.16780E+00 712 0.647E+00 0.476E+00
DAV: 8 -0.898434911654E+02 0.37377E+00 -0.53277E-01 688 0.406E+00 0.168E+00
DAV: 9 -0.897547277843E+02 0.88763E-01 -0.12706E-01 720 0.177E+00 0.460E-01
DAV: 10 -0.897452118523E+02 0.95159E-02 -0.29643E-02 776 0.885E-01 0.298E-01
DAV: 11 -0.897487913915E+02 -0.35795E-02 -0.18219E-02 680 0.968E-01 0.221E-01
DAV: 12 -0.897489517984E+02 -0.16041E-03 -0.49476E-03 784 0.520E-01 0.132E-01
DAV: 13 -0.897526418174E+02 -0.36900E-02 -0.46568E-03 600 0.375E-01 0.117E-01
DAV: 14 -0.897558112892E+02 -0.31695E-02 -0.11463E-03 642 0.165E-01 0.754E-02
DAV: 15 -0.897588212928E+02 -0.30100E-02 -0.88531E-04 653 0.185E-01 0.363E-02
DAV: 16 -0.897608681783E+02 -0.20469E-02 -0.39644E-04 674 0.104E-01 0.304E-02
DAV: 17 -0.897615818683E+02 -0.71369E-03 -0.57990E-05 696 0.429E-02 0.188E-02
DAV: 18 -0.897623781699E+02 -0.79630E-03 -0.14008E-04 659 0.669E-02 0.124E-02
DAV: 19 -0.897625928236E+02 -0.21465E-03 -0.17465E-05 504 0.279E-02 0.948E-03
DAV: 20 -0.897626922430E+02 -0.99419E-04 -0.30851E-05 620 0.311E-02 0.480E-03
DAV: 21 -0.897627296960E+02 -0.37453E-04 -0.30272E-06 496 0.125E-02 0.322E-03
DAV: 22 -0.897627616224E+02 -0.31926E-04 -0.81056E-06 395 0.175E-02 0.287E-03
DAV: 23 -0.897627683045E+02 -0.66822E-05 -0.15771E-06 472 0.846E-03
1 F= -.89762768E+02 E0= -.89771115E+02 d E =0.250406E-01