iterations/neb0_image06_iter186_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 0.371584133122E+03 0.37158E+03 -0.14352E+04 640 0.799E+02
DAV: 2 0.445525768219E+01 -0.36713E+03 -0.35513E+03 861 0.193E+02
DAV: 3 -0.959959802221E+02 -0.10045E+03 -0.10011E+03 693 0.116E+02
DAV: 4 -0.100527407247E+03 -0.45314E+01 -0.45195E+01 720 0.279E+01
DAV: 5 -0.100617009663E+03 -0.89602E-01 -0.89559E-01 720 0.351E+00 0.227E+01
DAV: 6 -0.920452103464E+02 0.85718E+01 -0.30579E+01 701 0.301E+01 0.118E+01
DAV: 7 -0.912044390882E+02 0.84077E+00 -0.17263E+00 720 0.624E+00 0.481E+00
DAV: 8 -0.908258416149E+02 0.37860E+00 -0.55282E-01 720 0.413E+00 0.165E+00
DAV: 9 -0.907380338355E+02 0.87808E-01 -0.12690E-01 720 0.157E+00 0.422E-01
DAV: 10 -0.907279764899E+02 0.10057E-01 -0.36572E-02 736 0.952E-01 0.284E-01
DAV: 11 -0.907320506207E+02 -0.40741E-02 -0.93021E-03 602 0.492E-01 0.143E-01
DAV: 12 -0.907349010459E+02 -0.28504E-02 -0.21631E-03 612 0.256E-01 0.823E-02
DAV: 13 -0.907388165078E+02 -0.39155E-02 -0.14579E-03 636 0.174E-01 0.623E-02
DAV: 14 -0.907423607462E+02 -0.35442E-02 -0.11670E-03 728 0.240E-01 0.431E-02
DAV: 15 -0.907439556209E+02 -0.15949E-02 -0.27106E-04 728 0.954E-02 0.411E-02
DAV: 16 -0.907453025299E+02 -0.13469E-02 -0.37872E-04 701 0.118E-01 0.178E-02
DAV: 17 -0.907460827850E+02 -0.78026E-03 -0.11756E-04 688 0.570E-02 0.141E-02
DAV: 18 -0.907463269729E+02 -0.24419E-03 -0.23812E-05 544 0.226E-02 0.835E-03
DAV: 19 -0.907464627501E+02 -0.13578E-03 -0.20800E-05 471 0.210E-02 0.275E-03
DAV: 20 -0.907464821174E+02 -0.19367E-04 -0.24618E-06 528 0.885E-03 0.134E-03
DAV: 21 -0.907465120101E+02 -0.29893E-04 -0.46537E-06 392 0.870E-03 0.164E-03
DAV: 22 -0.907465134193E+02 -0.14092E-05 -0.67806E-07 528 0.548E-03
1 F= -.90746513E+02 E0= -.90750904E+02 d E =0.131719E-01