iterations/neb0_image05_iter126_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 0.372211974565E+03 0.37221E+03 -0.14304E+04 632 0.799E+02
DAV: 2 0.485021204382E+01 -0.36736E+03 -0.35485E+03 863 0.194E+02
DAV: 3 -0.941152553587E+02 -0.98965E+02 -0.98585E+02 629 0.116E+02
DAV: 4 -0.989467980471E+02 -0.48315E+01 -0.48175E+01 728 0.304E+01
DAV: 5 -0.990486678106E+02 -0.10187E+00 -0.10182E+00 720 0.394E+00 0.220E+01
DAV: 6 -0.906297115393E+02 0.84190E+01 -0.29051E+01 669 0.290E+01 0.113E+01
DAV: 7 -0.897550477559E+02 0.87466E+00 -0.17875E+00 728 0.663E+00 0.470E+00
DAV: 8 -0.893631654462E+02 0.39188E+00 -0.60013E-01 712 0.442E+00 0.159E+00
DAV: 9 -0.892776424017E+02 0.85523E-01 -0.13498E-01 720 0.164E+00 0.443E-01
DAV: 10 -0.892664560537E+02 0.11186E-01 -0.39956E-02 781 0.112E+00 0.308E-01
DAV: 11 -0.892681953331E+02 -0.17393E-02 -0.79624E-03 645 0.559E-01 0.133E-01
DAV: 12 -0.892704196843E+02 -0.22244E-02 -0.39479E-03 674 0.382E-01 0.102E-01
DAV: 13 -0.892746733499E+02 -0.42537E-02 -0.12340E-03 645 0.231E-01 0.792E-02
DAV: 14 -0.892771535059E+02 -0.24802E-02 -0.71468E-04 672 0.147E-01 0.452E-02
DAV: 15 -0.892794862511E+02 -0.23327E-02 -0.27568E-04 628 0.842E-02 0.279E-02
DAV: 16 -0.892811684798E+02 -0.16822E-02 -0.18827E-04 677 0.763E-02 0.175E-02
DAV: 17 -0.892823902416E+02 -0.12218E-02 -0.11291E-04 639 0.498E-02 0.152E-02
DAV: 18 -0.892827423018E+02 -0.35206E-03 -0.36281E-05 629 0.388E-02 0.899E-03
DAV: 19 -0.892830784635E+02 -0.33616E-03 -0.27830E-05 523 0.270E-02 0.465E-03
DAV: 20 -0.892832356561E+02 -0.15719E-03 -0.12726E-05 482 0.141E-02 0.281E-03
DAV: 21 -0.892832858146E+02 -0.50159E-04 -0.68639E-06 464 0.133E-02 0.211E-03
DAV: 22 -0.892833059650E+02 -0.20150E-04 -0.31919E-06 436 0.780E-03 0.172E-03
DAV: 23 -0.892833091783E+02 -0.32133E-05 -0.11668E-06 504 0.630E-03
1 F= -.89283309E+02 E0= -.89291903E+02 d E =0.257820E-01