iterations/neb0_image06_iter237_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 0.370472724126E+03 0.37047E+03 -0.14353E+04 640 0.799E+02
DAV: 2 0.397200622749E+01 -0.36650E+03 -0.35439E+03 858 0.193E+02
DAV: 3 -0.954312983879E+02 -0.99403E+02 -0.99034E+02 664 0.116E+02
DAV: 4 -0.100176353866E+03 -0.47451E+01 -0.47303E+01 728 0.287E+01
DAV: 5 -0.100274864110E+03 -0.98510E-01 -0.98456E-01 728 0.368E+00 0.225E+01
DAV: 6 -0.917339145036E+02 0.85409E+01 -0.30066E+01 696 0.301E+01 0.118E+01
DAV: 7 -0.908998823864E+02 0.83403E+00 -0.17482E+00 712 0.631E+00 0.481E+00
DAV: 8 -0.905246485374E+02 0.37523E+00 -0.57070E-01 712 0.422E+00 0.166E+00
DAV: 9 -0.904374442924E+02 0.87204E-01 -0.12881E-01 712 0.162E+00 0.431E-01
DAV: 10 -0.904274450354E+02 0.99993E-02 -0.34731E-02 728 0.920E-01 0.285E-01
DAV: 11 -0.904314069728E+02 -0.39619E-02 -0.97121E-03 602 0.516E-01 0.152E-01
DAV: 12 -0.904337295561E+02 -0.23226E-02 -0.30110E-03 640 0.324E-01 0.842E-02
DAV: 13 -0.904376434711E+02 -0.39139E-02 -0.19582E-03 622 0.209E-01 0.760E-02
DAV: 14 -0.904406209774E+02 -0.29775E-02 -0.93042E-04 704 0.224E-01 0.335E-02
DAV: 15 -0.904428219842E+02 -0.22010E-02 -0.34908E-04 645 0.986E-02 0.382E-02
DAV: 16 -0.904443732589E+02 -0.15513E-02 -0.32236E-04 722 0.111E-01 0.194E-02
DAV: 17 -0.904451991508E+02 -0.82589E-03 -0.13387E-04 645 0.619E-02 0.135E-02
DAV: 18 -0.904454124774E+02 -0.21333E-03 -0.19328E-05 552 0.199E-02 0.960E-03
DAV: 19 -0.904455728147E+02 -0.16034E-03 -0.28033E-05 513 0.262E-02 0.242E-03
DAV: 20 -0.904455982535E+02 -0.25439E-04 -0.51548E-06 496 0.118E-02 0.290E-03
DAV: 21 -0.904456114451E+02 -0.13192E-04 -0.15284E-06 407 0.535E-03 0.194E-03
DAV: 22 -0.904456165208E+02 -0.50757E-05 -0.97233E-07 458 0.524E-03
1 F= -.90445617E+02 E0= -.90450391E+02 d E =0.143246E-01