iterations/neb0_image03_iter49_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 0.368264969358E+03 0.36826E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.406440124176E+01 -0.36420E+03 -0.35100E+03 845 0.195E+02
DAV: 3 -0.953381490126E+02 -0.99403E+02 -0.99069E+02 656 0.116E+02
DAV: 4 -0.100059344971E+03 -0.47212E+01 -0.47110E+01 712 0.294E+01
DAV: 5 -0.100150884763E+03 -0.91540E-01 -0.91501E-01 736 0.370E+00 0.222E+01
DAV: 6 -0.915250637258E+02 0.86258E+01 -0.30740E+01 688 0.297E+01 0.116E+01
DAV: 7 -0.906826423350E+02 0.84242E+00 -0.18786E+00 696 0.642E+00 0.483E+00
DAV: 8 -0.902784345180E+02 0.40421E+00 -0.56350E-01 696 0.431E+00 0.166E+00
DAV: 9 -0.901813001599E+02 0.97134E-01 -0.14189E-01 704 0.174E+00 0.434E-01
DAV: 10 -0.901726837257E+02 0.86164E-02 -0.49236E-02 712 0.122E+00 0.332E-01
DAV: 11 -0.901764699743E+02 -0.37862E-02 -0.89092E-03 608 0.551E-01 0.122E-01
DAV: 12 -0.901794046117E+02 -0.29346E-02 -0.51626E-03 636 0.337E-01 0.133E-01
DAV: 13 -0.901823007311E+02 -0.28961E-02 -0.15970E-03 840 0.341E-01 0.713E-02
DAV: 14 -0.901859178183E+02 -0.36171E-02 -0.11792E-03 642 0.195E-01 0.546E-02
DAV: 15 -0.901882426645E+02 -0.23248E-02 -0.31656E-04 688 0.974E-02 0.390E-02
DAV: 16 -0.901897213824E+02 -0.14787E-02 -0.38292E-04 664 0.105E-01 0.220E-02
DAV: 17 -0.901907329639E+02 -0.10116E-02 -0.95079E-05 658 0.671E-02 0.182E-02
DAV: 18 -0.901911603123E+02 -0.42735E-03 -0.11348E-04 672 0.677E-02 0.827E-03
DAV: 19 -0.901912701938E+02 -0.10988E-03 -0.16440E-05 488 0.233E-02 0.593E-03
DAV: 20 -0.901913434068E+02 -0.73213E-04 -0.19587E-05 487 0.223E-02 0.579E-03
DAV: 21 -0.901913648615E+02 -0.21455E-04 -0.98825E-06 453 0.254E-02 0.738E-03
DAV: 22 -0.901913624593E+02 0.24023E-05 -0.10660E-05 472 0.291E-02
1 F= -.90191362E+02 E0= -.90198922E+02 d E =0.226790E-01