./iterations/neb0_image02_iter131_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 0.364492700871E+03 0.36449E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.388040664954E+01 -0.36061E+03 -0.34621E+03 834 0.194E+02
DAV: 3 -0.955950847023E+02 -0.99475E+02 -0.99143E+02 672 0.116E+02
DAV: 4 -0.100209044006E+03 -0.46140E+01 -0.46026E+01 720 0.285E+01
DAV: 5 -0.100297697975E+03 -0.88654E-01 -0.88614E-01 736 0.357E+00 0.222E+01
DAV: 6 -0.916750423778E+02 0.86227E+01 -0.30944E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908588967173E+02 0.81615E+00 -0.18481E+00 704 0.637E+00 0.483E+00
DAV: 8 -0.904757208348E+02 0.38318E+00 -0.55626E-01 704 0.428E+00 0.169E+00
DAV: 9 -0.903869443045E+02 0.88777E-01 -0.13993E-01 704 0.166E+00 0.434E-01
DAV: 10 -0.903810111658E+02 0.59331E-02 -0.48151E-02 712 0.131E+00 0.326E-01
DAV: 11 -0.903844379077E+02 -0.34267E-02 -0.69487E-03 608 0.496E-01 0.156E-01
DAV: 12 -0.903878133272E+02 -0.33754E-02 -0.80120E-03 632 0.500E-01 0.135E-01
DAV: 13 -0.903907348992E+02 -0.29216E-02 -0.17513E-03 976 0.349E-01 0.834E-02
DAV: 14 -0.903936651974E+02 -0.29303E-02 -0.12849E-03 637 0.166E-01 0.591E-02
DAV: 15 -0.903959817195E+02 -0.23165E-02 -0.42466E-04 664 0.111E-01 0.443E-02
DAV: 16 -0.903974063658E+02 -0.14246E-02 -0.62531E-04 664 0.142E-01 0.304E-02
DAV: 17 -0.903982625189E+02 -0.85615E-03 -0.13320E-04 661 0.739E-02 0.227E-02
DAV: 18 -0.903984672903E+02 -0.20477E-03 -0.61510E-05 672 0.394E-02 0.969E-03
DAV: 19 -0.903986319481E+02 -0.16466E-03 -0.29004E-05 538 0.278E-02 0.394E-03
DAV: 20 -0.903986776953E+02 -0.45747E-04 -0.38706E-06 472 0.113E-02 0.488E-03
DAV: 21 -0.903987108292E+02 -0.33134E-04 -0.54647E-06 442 0.143E-02 0.519E-03
DAV: 22 -0.903987287696E+02 -0.17940E-04 -0.41722E-06 469 0.127E-02 0.296E-03
DAV: 23 -0.903987317177E+02 -0.29481E-05 -0.37671E-06 496 0.109E-02
1 F= -.90398732E+02 E0= -.90405017E+02 d E =0.188548E-01