iterations/neb0_image05_iter227_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 0.367717670162E+03 0.36772E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.322235076888E+01 -0.36450E+03 -0.35114E+03 856 0.195E+02
DAV: 3 -0.955229873876E+02 -0.98745E+02 -0.98405E+02 669 0.116E+02
DAV: 4 -0.100031906834E+03 -0.45089E+01 -0.44993E+01 704 0.283E+01
DAV: 5 -0.100122116145E+03 -0.90209E-01 -0.90169E-01 728 0.356E+00 0.222E+01
DAV: 6 -0.915800392253E+02 0.85421E+01 -0.30851E+01 696 0.298E+01 0.117E+01
DAV: 7 -0.907527759395E+02 0.82726E+00 -0.17220E+00 720 0.626E+00 0.483E+00
DAV: 8 -0.903752645896E+02 0.37751E+00 -0.55915E-01 720 0.430E+00 0.163E+00
DAV: 9 -0.902929772637E+02 0.82287E-01 -0.13070E-01 720 0.166E+00 0.433E-01
DAV: 10 -0.902863921589E+02 0.65851E-02 -0.43499E-02 736 0.122E+00 0.312E-01
DAV: 11 -0.902896651182E+02 -0.32730E-02 -0.67035E-03 616 0.526E-01 0.136E-01
DAV: 12 -0.902923830948E+02 -0.27180E-02 -0.63741E-03 608 0.469E-01 0.120E-01
DAV: 13 -0.902951680340E+02 -0.27849E-02 -0.13776E-03 861 0.284E-01 0.781E-02
DAV: 14 -0.902984704835E+02 -0.33024E-02 -0.14358E-03 639 0.165E-01 0.550E-02
DAV: 15 -0.903008115541E+02 -0.23411E-02 -0.39115E-04 696 0.119E-01 0.382E-02
DAV: 16 -0.903026785976E+02 -0.18670E-02 -0.69232E-04 669 0.147E-01 0.346E-02
DAV: 17 -0.903033678497E+02 -0.68925E-03 -0.14985E-04 872 0.893E-02 0.185E-02
DAV: 18 -0.903034932651E+02 -0.12542E-03 -0.53904E-05 712 0.380E-02 0.935E-03
DAV: 19 -0.903037888671E+02 -0.29560E-03 -0.52173E-05 569 0.355E-02 0.844E-03
DAV: 20 -0.903038328635E+02 -0.43996E-04 -0.46151E-06 488 0.155E-02 0.614E-03
DAV: 21 -0.903038726274E+02 -0.39764E-04 -0.17293E-05 490 0.245E-02 0.396E-03
DAV: 22 -0.903038862801E+02 -0.13653E-04 -0.38410E-06 480 0.134E-02 0.249E-03
DAV: 23 -0.903038886731E+02 -0.23930E-05 -0.11087E-06 482 0.577E-03
1 F= -.90303889E+02 E0= -.90308890E+02 d E =0.150046E-01