./iterations/neb0_image05_iter199_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 0.367283594272E+03 0.36728E+03 -0.14292E+04 624 0.799E+02
DAV: 2 0.414283825699E+01 -0.36314E+03 -0.34921E+03 848 0.195E+02
DAV: 3 -0.953984366586E+02 -0.99541E+02 -0.99205E+02 685 0.116E+02
DAV: 4 -0.998964624261E+02 -0.44980E+01 -0.44874E+01 704 0.278E+01
DAV: 5 -0.999863361551E+02 -0.89874E-01 -0.89829E-01 728 0.348E+00 0.220E+01
DAV: 6 -0.915147273687E+02 0.84716E+01 -0.30707E+01 680 0.300E+01 0.116E+01
DAV: 7 -0.907325299270E+02 0.78220E+00 -0.17727E+00 728 0.629E+00 0.480E+00
DAV: 8 -0.903660505962E+02 0.36648E+00 -0.52151E-01 712 0.419E+00 0.169E+00
DAV: 9 -0.902798812578E+02 0.86169E-01 -0.13704E-01 720 0.169E+00 0.434E-01
DAV: 10 -0.902736557232E+02 0.62255E-02 -0.41997E-02 768 0.124E+00 0.308E-01
DAV: 11 -0.902766853945E+02 -0.30297E-02 -0.64877E-03 616 0.519E-01 0.143E-01
DAV: 12 -0.902792768435E+02 -0.25914E-02 -0.61894E-03 610 0.465E-01 0.115E-01
DAV: 13 -0.902821828885E+02 -0.29060E-02 -0.12672E-03 797 0.278E-01 0.795E-02
DAV: 14 -0.902853768279E+02 -0.31939E-02 -0.15730E-03 638 0.174E-01 0.611E-02
DAV: 15 -0.902878560412E+02 -0.24792E-02 -0.54730E-04 792 0.158E-01 0.365E-02
DAV: 16 -0.902895269406E+02 -0.16709E-02 -0.70462E-04 664 0.148E-01 0.425E-02
DAV: 17 -0.902901286106E+02 -0.60167E-03 -0.19018E-04 880 0.965E-02 0.208E-02
DAV: 18 -0.902902098335E+02 -0.81223E-04 -0.43252E-05 693 0.348E-02 0.115E-02
DAV: 19 -0.902905352235E+02 -0.32539E-03 -0.53536E-05 555 0.409E-02 0.852E-03
DAV: 20 -0.902906491122E+02 -0.11389E-03 -0.11809E-05 496 0.214E-02 0.650E-03
DAV: 21 -0.902906797089E+02 -0.30597E-04 -0.11476E-05 496 0.199E-02 0.330E-03
DAV: 22 -0.902907034706E+02 -0.23762E-04 -0.69672E-06 439 0.195E-02 0.295E-03
DAV: 23 -0.902907070280E+02 -0.35574E-05 -0.19264E-06 480 0.817E-03
1 F= -.90290707E+02 E0= -.90297222E+02 d E =0.195457E-01