iterations/neb0_image03_iter298_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 0.366475078963E+03 0.36648E+03 -0.14291E+04 624 0.799E+02
DAV: 2 0.888460717528E+00 -0.36559E+03 -0.35350E+03 863 0.196E+02
DAV: 3 -0.959317103533E+02 -0.96820E+02 -0.96512E+02 656 0.115E+02
DAV: 4 -0.100285011832E+03 -0.43533E+01 -0.43440E+01 696 0.284E+01
DAV: 5 -0.100369678073E+03 -0.84666E-01 -0.84638E-01 744 0.357E+00 0.223E+01
DAV: 6 -0.916869535907E+02 0.86827E+01 -0.31456E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908562513720E+02 0.83070E+00 -0.17992E+00 704 0.627E+00 0.483E+00
DAV: 8 -0.904693805877E+02 0.38687E+00 -0.54957E-01 704 0.426E+00 0.171E+00
DAV: 9 -0.903796938416E+02 0.89687E-01 -0.14274E-01 712 0.174E+00 0.447E-01
DAV: 10 -0.903735816613E+02 0.61122E-02 -0.44014E-02 712 0.125E+00 0.328E-01
DAV: 11 -0.903766063413E+02 -0.30247E-02 -0.57265E-03 632 0.543E-01 0.145E-01
DAV: 12 -0.903803856898E+02 -0.37793E-02 -0.66825E-03 616 0.417E-01 0.121E-01
DAV: 13 -0.903843894439E+02 -0.40038E-02 -0.12574E-03 912 0.279E-01 0.717E-02
DAV: 14 -0.903879084465E+02 -0.35190E-02 -0.12478E-03 645 0.157E-01 0.498E-02
DAV: 15 -0.903899198548E+02 -0.20114E-02 -0.26823E-04 696 0.957E-02 0.257E-02
DAV: 16 -0.903915301871E+02 -0.16103E-02 -0.42694E-04 647 0.114E-01 0.297E-02
DAV: 17 -0.903919497967E+02 -0.41961E-03 -0.74355E-05 688 0.604E-02 0.165E-02
DAV: 18 -0.903923377606E+02 -0.38796E-03 -0.13017E-04 631 0.655E-02 0.140E-02
DAV: 19 -0.903924619720E+02 -0.12421E-03 -0.12246E-05 472 0.252E-02 0.981E-03
DAV: 20 -0.903925485405E+02 -0.86569E-04 -0.37462E-05 624 0.350E-02 0.486E-03
DAV: 21 -0.903925723609E+02 -0.23820E-04 -0.31875E-06 512 0.125E-02 0.345E-03
DAV: 22 -0.903925911728E+02 -0.18812E-04 -0.49368E-06 413 0.121E-02 0.183E-03
DAV: 23 -0.903925936224E+02 -0.24496E-05 -0.10577E-06 512 0.654E-03
1 F= -.90392594E+02 E0= -.90400797E+02 d E =0.246097E-01