iterations/neb0_image01_iter90_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 0.366772061833E+03 0.36677E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.345121810716E+01 -0.36332E+03 -0.34994E+03 839 0.195E+02
DAV: 3 -0.957544901130E+02 -0.99206E+02 -0.98865E+02 680 0.116E+02
DAV: 4 -0.100217756395E+03 -0.44633E+01 -0.44541E+01 685 0.283E+01
DAV: 5 -0.100305837504E+03 -0.88081E-01 -0.88029E-01 736 0.355E+00 0.222E+01
DAV: 6 -0.916774380597E+02 0.86284E+01 -0.31190E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908656570687E+02 0.81178E+00 -0.18248E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904851350853E+02 0.38052E+00 -0.55441E-01 704 0.426E+00 0.168E+00
DAV: 9 -0.903998042261E+02 0.85331E-01 -0.13619E-01 704 0.164E+00 0.427E-01
DAV: 10 -0.903943834515E+02 0.54208E-02 -0.46382E-02 728 0.125E+00 0.317E-01
DAV: 11 -0.903983420630E+02 -0.39586E-02 -0.70042E-03 608 0.496E-01 0.135E-01
DAV: 12 -0.904018927126E+02 -0.35506E-02 -0.67729E-03 629 0.467E-01 0.128E-01
DAV: 13 -0.904045254131E+02 -0.26327E-02 -0.14355E-03 856 0.311E-01 0.758E-02
DAV: 14 -0.904075279978E+02 -0.30026E-02 -0.14250E-03 634 0.180E-01 0.601E-02
DAV: 15 -0.904095493266E+02 -0.20213E-02 -0.38048E-04 680 0.121E-01 0.464E-02
DAV: 16 -0.904109009543E+02 -0.13516E-02 -0.83019E-04 653 0.168E-01 0.376E-02
DAV: 17 -0.904117310022E+02 -0.83005E-03 -0.19417E-04 837 0.986E-02 0.222E-02
DAV: 18 -0.904118587104E+02 -0.12771E-03 -0.39276E-05 720 0.324E-02 0.148E-02
DAV: 19 -0.904121203107E+02 -0.26160E-03 -0.66477E-05 636 0.427E-02 0.607E-03
DAV: 20 -0.904121491175E+02 -0.28807E-04 -0.55252E-06 480 0.145E-02 0.589E-03
DAV: 21 -0.904121871323E+02 -0.38015E-04 -0.71426E-06 428 0.170E-02 0.465E-03
DAV: 22 -0.904122083882E+02 -0.21256E-04 -0.37367E-06 477 0.103E-02 0.352E-03
DAV: 23 -0.904122109268E+02 -0.25386E-05 -0.26640E-06 528 0.934E-03
1 F= -.90412211E+02 E0= -.90417273E+02 d E =0.151860E-01