iterations/neb0_image04_iter254_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 0.366159712117E+03 0.36616E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.860783703075E+00 -0.36530E+03 -0.35410E+03 855 0.195E+02
DAV: 3 -0.960060211019E+02 -0.96867E+02 -0.96574E+02 664 0.116E+02
DAV: 4 -0.100284708771E+03 -0.42787E+01 -0.42701E+01 696 0.277E+01
DAV: 5 -0.100369137445E+03 -0.84429E-01 -0.84402E-01 728 0.347E+00 0.223E+01
DAV: 6 -0.916742476844E+02 0.86949E+01 -0.31254E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908295214128E+02 0.84473E+00 -0.18118E+00 704 0.659E+00 0.485E+00
DAV: 8 -0.904181495721E+02 0.41137E+00 -0.54663E-01 704 0.452E+00 0.177E+00
DAV: 9 -0.903259572761E+02 0.92192E-01 -0.15759E-01 720 0.203E+00 0.557E-01
DAV: 10 -0.903125773970E+02 0.13380E-01 -0.36244E-02 712 0.101E+00 0.346E-01
DAV: 11 -0.903142370807E+02 -0.16597E-02 -0.11246E-02 704 0.542E-01 0.201E-01
DAV: 12 -0.903177561290E+02 -0.35190E-02 -0.40147E-03 621 0.387E-01 0.117E-01
DAV: 13 -0.903208933132E+02 -0.31372E-02 -0.98665E-04 645 0.224E-01 0.996E-02
DAV: 14 -0.903247437516E+02 -0.38504E-02 -0.20772E-03 788 0.291E-01 0.646E-02
DAV: 15 -0.903262406800E+02 -0.14969E-02 -0.28906E-04 696 0.126E-01 0.413E-02
DAV: 16 -0.903289003813E+02 -0.26597E-02 -0.97118E-04 705 0.192E-01 0.401E-02
DAV: 17 -0.903295417755E+02 -0.64139E-03 -0.12406E-04 688 0.804E-02 0.281E-02
DAV: 18 -0.903301558586E+02 -0.61408E-03 -0.21499E-04 713 0.863E-02 0.114E-02
DAV: 19 -0.903306442747E+02 -0.48842E-03 -0.69670E-05 655 0.448E-02 0.959E-03
DAV: 20 -0.903307243849E+02 -0.80110E-04 -0.73891E-06 520 0.147E-02 0.675E-03
DAV: 21 -0.903308065435E+02 -0.82159E-04 -0.16120E-05 462 0.242E-02 0.460E-03
DAV: 22 -0.903308406487E+02 -0.34105E-04 -0.46092E-06 469 0.119E-02 0.326E-03
DAV: 23 -0.903308469198E+02 -0.62711E-05 -0.22388E-06 528 0.904E-03
1 F= -.90330847E+02 E0= -.90339076E+02 d E =0.246871E-01