iterations/neb0_image05_iter2_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 0.371062579860E+03 0.37106E+03 -0.14253E+04 624 0.799E+02
DAV: 2 0.101311803206E+02 -0.36093E+03 -0.34855E+03 848 0.194E+02
DAV: 3 -0.902906761464E+02 -0.10042E+03 -0.99670E+02 696 0.117E+02
DAV: 4 -0.949114597205E+02 -0.46208E+01 -0.46063E+01 712 0.280E+01
DAV: 5 -0.950052528117E+02 -0.93793E-01 -0.93759E-01 736 0.353E+00 0.236E+01
DAV: 6 -0.852612317491E+02 0.97440E+01 -0.34123E+01 682 0.327E+01 0.124E+01
DAV: 7 -0.843515112089E+02 0.90972E+00 -0.22534E+00 720 0.809E+00 0.530E+00
DAV: 8 -0.839279270549E+02 0.42358E+00 -0.88926E-01 720 0.535E+00 0.176E+00
DAV: 9 -0.838672836510E+02 0.60643E-01 -0.15356E-01 720 0.198E+00 0.723E-01
DAV: 10 -0.838484207725E+02 0.18863E-01 -0.45236E-02 696 0.111E+00 0.355E-01
DAV: 11 -0.838477157643E+02 0.70501E-03 -0.86038E-03 656 0.517E-01 0.175E-01
DAV: 12 -0.838504058169E+02 -0.26901E-02 -0.46891E-03 610 0.394E-01 0.122E-01
DAV: 13 -0.838543702375E+02 -0.39644E-02 -0.11334E-03 615 0.202E-01 0.719E-02
DAV: 14 -0.838578989986E+02 -0.35288E-02 -0.10523E-03 622 0.163E-01 0.440E-02
DAV: 15 -0.838598439109E+02 -0.19449E-02 -0.30247E-04 672 0.886E-02 0.294E-02
DAV: 16 -0.838618743155E+02 -0.20304E-02 -0.36785E-04 658 0.106E-01 0.255E-02
DAV: 17 -0.838626014751E+02 -0.72716E-03 -0.61995E-05 730 0.636E-02 0.190E-02
DAV: 18 -0.838629992028E+02 -0.39773E-03 -0.86648E-05 682 0.558E-02 0.193E-02
DAV: 19 -0.838630269204E+02 -0.27718E-04 -0.84346E-06 536 0.166E-02 0.198E-02
DAV: 20 -0.838630306228E+02 -0.37024E-05 -0.97121E-07 472 0.561E-03
1 F= -.83863031E+02 E0= -.83870057E+02 d E =0.210794E-01