iterations/neb0_image01_iter208_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 0.365776540686E+03 0.36578E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.323110128103E+01 -0.36255E+03 -0.34954E+03 839 0.196E+02
DAV: 3 -0.954364684417E+02 -0.98668E+02 -0.98323E+02 645 0.116E+02
DAV: 4 -0.100234921582E+03 -0.47985E+01 -0.47867E+01 704 0.297E+01
DAV: 5 -0.100330667570E+03 -0.95746E-01 -0.95696E-01 728 0.376E+00 0.222E+01
DAV: 6 -0.916948723684E+02 0.86358E+01 -0.30912E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908867731409E+02 0.80810E+00 -0.18319E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905108492892E+02 0.37592E+00 -0.55339E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904286355551E+02 0.82214E-01 -0.13272E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904241437869E+02 0.44918E-02 -0.47231E-02 720 0.124E+00 0.323E-01
DAV: 11 -0.904282478161E+02 -0.41040E-02 -0.79202E-03 608 0.575E-01 0.120E-01
DAV: 12 -0.904316186436E+02 -0.33708E-02 -0.65002E-03 629 0.444E-01 0.132E-01
DAV: 13 -0.904340510303E+02 -0.24324E-02 -0.16303E-03 861 0.310E-01 0.751E-02
DAV: 14 -0.904372471061E+02 -0.31961E-02 -0.14826E-03 642 0.195E-01 0.697E-02
DAV: 15 -0.904388366732E+02 -0.15896E-02 -0.29510E-04 696 0.113E-01 0.553E-02
DAV: 16 -0.904402194937E+02 -0.13828E-02 -0.11078E-03 661 0.205E-01 0.386E-02
DAV: 17 -0.904410342746E+02 -0.81478E-03 -0.14393E-04 661 0.822E-02 0.336E-02
DAV: 18 -0.904413602252E+02 -0.32595E-03 -0.83367E-05 680 0.454E-02 0.187E-02
DAV: 19 -0.904415417967E+02 -0.18157E-03 -0.10018E-04 631 0.563E-02 0.101E-02
DAV: 20 -0.904415690943E+02 -0.27298E-04 -0.93389E-06 512 0.205E-02 0.997E-03
DAV: 21 -0.904416070653E+02 -0.37971E-04 -0.76729E-06 404 0.154E-02 0.700E-03
DAV: 22 -0.904416182280E+02 -0.11163E-04 -0.53789E-06 480 0.174E-02 0.277E-03
DAV: 23 -0.904416220118E+02 -0.37838E-05 -0.51257E-06 474 0.132E-02
1 F= -.90441622E+02 E0= -.90447369E+02 d E =0.172422E-01