iterations/neb0_image06_iter158_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 0.370971800533E+03 0.37097E+03 -0.14341E+04 640 0.799E+02
DAV: 2 0.371535890676E+01 -0.36726E+03 -0.35565E+03 874 0.193E+02
DAV: 3 -0.960286666235E+02 -0.99744E+02 -0.99412E+02 690 0.116E+02
DAV: 4 -0.100506964767E+03 -0.44783E+01 -0.44654E+01 704 0.277E+01
DAV: 5 -0.100594474982E+03 -0.87510E-01 -0.87460E-01 728 0.348E+00 0.226E+01
DAV: 6 -0.919831913148E+02 0.86113E+01 -0.30900E+01 717 0.305E+01 0.118E+01
DAV: 7 -0.911622563891E+02 0.82093E+00 -0.17463E+00 712 0.632E+00 0.481E+00
DAV: 8 -0.907840407236E+02 0.37822E+00 -0.53376E-01 728 0.402E+00 0.170E+00
DAV: 9 -0.906912627565E+02 0.92778E-01 -0.13359E-01 720 0.160E+00 0.424E-01
DAV: 10 -0.906810122186E+02 0.10251E-01 -0.34935E-02 760 0.934E-01 0.278E-01
DAV: 11 -0.906848416329E+02 -0.38294E-02 -0.83993E-03 602 0.473E-01 0.139E-01
DAV: 12 -0.906876118492E+02 -0.27702E-02 -0.18059E-03 645 0.242E-01 0.857E-02
DAV: 13 -0.906917568943E+02 -0.41450E-02 -0.15764E-03 622 0.184E-01 0.632E-02
DAV: 14 -0.906952488942E+02 -0.34920E-02 -0.10934E-03 776 0.238E-01 0.406E-02
DAV: 15 -0.906969509442E+02 -0.17021E-02 -0.28812E-04 706 0.959E-02 0.414E-02
DAV: 16 -0.906982318877E+02 -0.12809E-02 -0.40396E-04 730 0.128E-01 0.216E-02
DAV: 17 -0.906990049344E+02 -0.77305E-03 -0.12993E-04 717 0.615E-02 0.161E-02
DAV: 18 -0.906992753669E+02 -0.27043E-03 -0.32411E-05 610 0.293E-02 0.884E-03
DAV: 19 -0.906994369605E+02 -0.16159E-03 -0.25972E-05 500 0.249E-02 0.329E-03
DAV: 20 -0.906994628119E+02 -0.25851E-04 -0.30342E-06 528 0.103E-02 0.229E-03
DAV: 21 -0.906994910813E+02 -0.28269E-04 -0.41121E-06 395 0.875E-03 0.168E-03
DAV: 22 -0.906994949790E+02 -0.38978E-05 -0.65616E-07 504 0.565E-03
1 F= -.90699495E+02 E0= -.90704117E+02 d E =0.138664E-01