iterations/neb0_image05_iter138_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 0.368156608189E+03 0.36816E+03 -0.14339E+04 640 0.799E+02
DAV: 2 0.291265028379E+01 -0.36524E+03 -0.35224E+03 874 0.193E+02
DAV: 3 -0.944345428635E+02 -0.97347E+02 -0.96966E+02 632 0.115E+02
DAV: 4 -0.992078202952E+02 -0.47733E+01 -0.47602E+01 728 0.299E+01
DAV: 5 -0.993080772286E+02 -0.10026E+00 -0.10021E+00 736 0.384E+00 0.221E+01
DAV: 6 -0.907806488596E+02 0.85274E+01 -0.29871E+01 677 0.296E+01 0.115E+01
DAV: 7 -0.899420674897E+02 0.83858E+00 -0.17839E+00 720 0.652E+00 0.475E+00
DAV: 8 -0.895636730100E+02 0.37839E+00 -0.55085E-01 720 0.428E+00 0.172E+00
DAV: 9 -0.894725437794E+02 0.91129E-01 -0.14019E-01 728 0.173E+00 0.508E-01
DAV: 10 -0.894634004342E+02 0.91433E-02 -0.20452E-02 720 0.761E-01 0.312E-01
DAV: 11 -0.894629427886E+02 0.45765E-03 -0.10619E-02 690 0.545E-01 0.178E-01
DAV: 12 -0.894668461973E+02 -0.39034E-02 -0.45714E-03 620 0.407E-01 0.113E-01
DAV: 13 -0.894696138425E+02 -0.27676E-02 -0.95835E-04 687 0.196E-01 0.709E-02
DAV: 14 -0.894735898962E+02 -0.39761E-02 -0.14471E-03 625 0.212E-01 0.475E-02
DAV: 15 -0.894753627359E+02 -0.17728E-02 -0.20562E-04 808 0.110E-01 0.292E-02
DAV: 16 -0.894777836845E+02 -0.24209E-02 -0.57380E-04 791 0.132E-01 0.320E-02
DAV: 17 -0.894786004871E+02 -0.81680E-03 -0.14760E-04 869 0.956E-02 0.137E-02
DAV: 18 -0.894791348579E+02 -0.53437E-03 -0.92568E-05 652 0.500E-02 0.108E-02
DAV: 19 -0.894794811262E+02 -0.34627E-03 -0.32518E-05 554 0.276E-02 0.832E-03
DAV: 20 -0.894795596641E+02 -0.78538E-04 -0.15290E-05 504 0.272E-02 0.346E-03
DAV: 21 -0.894796439139E+02 -0.84250E-04 -0.14941E-05 421 0.197E-02 0.403E-03
DAV: 22 -0.894796574280E+02 -0.13514E-04 -0.22112E-06 493 0.809E-03 0.291E-03
DAV: 23 -0.894796644174E+02 -0.69895E-05 -0.28594E-06 392 0.105E-02
1 F= -.89479664E+02 E0= -.89487662E+02 d E =0.239918E-01