./iterations/neb0_image03_iter122_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 0.366585782757E+03 0.36659E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.272100130215E+01 -0.36386E+03 -0.35267E+03 853 0.195E+02
DAV: 3 -0.957009026635E+02 -0.98422E+02 -0.98113E+02 669 0.116E+02
DAV: 4 -0.100172899230E+03 -0.44720E+01 -0.44625E+01 704 0.282E+01
DAV: 5 -0.100262649966E+03 -0.89751E-01 -0.89713E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.916811912548E+02 0.85815E+01 -0.30667E+01 688 0.296E+01 0.116E+01
DAV: 7 -0.908394875619E+02 0.84170E+00 -0.18239E+00 704 0.640E+00 0.482E+00
DAV: 8 -0.904381081333E+02 0.40138E+00 -0.56313E-01 704 0.432E+00 0.167E+00
DAV: 9 -0.903430578077E+02 0.95050E-01 -0.12880E-01 696 0.187E+00 0.457E-01
DAV: 10 -0.903347064082E+02 0.83514E-02 -0.35727E-02 712 0.939E-01 0.332E-01
DAV: 11 -0.903373526616E+02 -0.26463E-02 -0.86528E-03 749 0.651E-01 0.171E-01
DAV: 12 -0.903389732300E+02 -0.16206E-02 -0.29265E-03 653 0.402E-01 0.113E-01
DAV: 13 -0.903435526766E+02 -0.45794E-02 -0.31992E-03 632 0.287E-01 0.869E-02
DAV: 14 -0.903477341319E+02 -0.41815E-02 -0.10394E-03 647 0.161E-01 0.404E-02
DAV: 15 -0.903499227749E+02 -0.21886E-02 -0.30639E-04 792 0.102E-01 0.241E-02
DAV: 16 -0.903517065134E+02 -0.17837E-02 -0.14754E-04 669 0.560E-02 0.138E-02
DAV: 17 -0.903528409517E+02 -0.11344E-02 -0.11686E-04 656 0.417E-02 0.716E-03
DAV: 18 -0.903531395536E+02 -0.29860E-03 -0.30238E-05 608 0.215E-02 0.451E-03
DAV: 19 -0.903532357562E+02 -0.96203E-04 -0.53996E-06 458 0.145E-02 0.232E-03
DAV: 20 -0.903533063333E+02 -0.70577E-04 -0.11800E-05 455 0.130E-02 0.265E-03
DAV: 21 -0.903533163971E+02 -0.10064E-04 -0.17711E-06 512 0.109E-02 0.174E-03
DAV: 22 -0.903533229255E+02 -0.65284E-05 -0.22911E-06 412 0.843E-03
1 F= -.90353323E+02 E0= -.90362014E+02 d E =0.260726E-01