./iterations/neb0_image01_iter164_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 0.365939970782E+03 0.36594E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.319398924390E+01 -0.36275E+03 -0.34985E+03 839 0.196E+02
DAV: 3 -0.955138105727E+02 -0.98708E+02 -0.98358E+02 661 0.116E+02
DAV: 4 -0.100228572491E+03 -0.47148E+01 -0.47033E+01 688 0.291E+01
DAV: 5 -0.100324186853E+03 -0.95614E-01 -0.95564E-01 728 0.368E+00 0.222E+01
DAV: 6 -0.916867707263E+02 0.86374E+01 -0.30911E+01 696 0.298E+01 0.117E+01
DAV: 7 -0.908786732286E+02 0.80810E+00 -0.18353E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905034043840E+02 0.37527E+00 -0.55353E-01 704 0.430E+00 0.166E+00
DAV: 9 -0.904221367275E+02 0.81268E-01 -0.12918E-01 720 0.171E+00 0.425E-01
DAV: 10 -0.904176808721E+02 0.44559E-02 -0.47747E-02 712 0.124E+00 0.329E-01
DAV: 11 -0.904219938463E+02 -0.43130E-02 -0.92082E-03 608 0.663E-01 0.115E-01
DAV: 12 -0.904249455308E+02 -0.29517E-02 -0.60490E-03 624 0.405E-01 0.128E-01
DAV: 13 -0.904276077490E+02 -0.26622E-02 -0.14567E-03 850 0.294E-01 0.798E-02
DAV: 14 -0.904310446665E+02 -0.34369E-02 -0.17813E-03 639 0.223E-01 0.780E-02
DAV: 15 -0.904323927238E+02 -0.13481E-02 -0.30468E-04 824 0.135E-01 0.526E-02
DAV: 16 -0.904337454527E+02 -0.13527E-02 -0.98993E-04 661 0.196E-01 0.374E-02
DAV: 17 -0.904345563385E+02 -0.81089E-03 -0.16194E-04 722 0.856E-02 0.315E-02
DAV: 18 -0.904347243677E+02 -0.16803E-03 -0.28212E-05 656 0.288E-02 0.244E-02
DAV: 19 -0.904350626543E+02 -0.33829E-03 -0.94434E-05 632 0.569E-02 0.104E-02
DAV: 20 -0.904351134160E+02 -0.50762E-04 -0.23436E-05 552 0.323E-02 0.595E-03
DAV: 21 -0.904351488489E+02 -0.35433E-04 -0.89138E-06 434 0.181E-02 0.647E-03
DAV: 22 -0.904351896042E+02 -0.40755E-04 -0.62557E-06 444 0.125E-02 0.462E-03
DAV: 23 -0.904351976159E+02 -0.80116E-05 -0.34595E-06 488 0.113E-02
1 F= -.90435198E+02 E0= -.90442001E+02 d E =0.204087E-01