iterations/neb0_image05_iter248_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 0.367667616105E+03 0.36767E+03 -0.14303E+04 624 0.799E+02
DAV: 2 0.444943590833E+01 -0.36322E+03 -0.34855E+03 837 0.195E+02
DAV: 3 -0.956450445936E+02 -0.10009E+03 -0.99746E+02 688 0.117E+02
DAV: 4 -0.100150394616E+03 -0.45054E+01 -0.44932E+01 696 0.279E+01
DAV: 5 -0.100237030020E+03 -0.86635E-01 -0.86593E-01 736 0.348E+00 0.222E+01
DAV: 6 -0.916128724333E+02 0.86242E+01 -0.31206E+01 704 0.300E+01 0.117E+01
DAV: 7 -0.907900462709E+02 0.82283E+00 -0.17593E+00 728 0.624E+00 0.482E+00
DAV: 8 -0.904114064892E+02 0.37864E+00 -0.53843E-01 728 0.426E+00 0.167E+00
DAV: 9 -0.903236651299E+02 0.87741E-01 -0.13058E-01 720 0.170E+00 0.442E-01
DAV: 10 -0.903166905753E+02 0.69746E-02 -0.35536E-02 736 0.111E+00 0.310E-01
DAV: 11 -0.903187420549E+02 -0.20515E-02 -0.45649E-03 608 0.437E-01 0.172E-01
DAV: 12 -0.903222070419E+02 -0.34650E-02 -0.80434E-03 616 0.526E-01 0.142E-01
DAV: 13 -0.903240507680E+02 -0.18437E-02 -0.22665E-03 832 0.329E-01 0.811E-02
DAV: 14 -0.903285057669E+02 -0.44550E-02 -0.14833E-03 614 0.207E-01 0.494E-02
DAV: 15 -0.903309032348E+02 -0.23975E-02 -0.33431E-04 704 0.962E-02 0.454E-02
DAV: 16 -0.903330421761E+02 -0.21389E-02 -0.54267E-04 738 0.159E-01 0.271E-02
DAV: 17 -0.903336855509E+02 -0.64337E-03 -0.12597E-04 712 0.635E-02 0.258E-02
DAV: 18 -0.903341880979E+02 -0.50255E-03 -0.96044E-05 703 0.592E-02 0.110E-02
DAV: 19 -0.903344745576E+02 -0.28646E-03 -0.28713E-05 616 0.271E-02 0.548E-03
DAV: 20 -0.903346195088E+02 -0.14495E-03 -0.21555E-05 530 0.189E-02 0.363E-03
DAV: 21 -0.903346493305E+02 -0.29822E-04 -0.29020E-06 488 0.722E-03 0.334E-03
DAV: 22 -0.903346670244E+02 -0.17694E-04 -0.41463E-06 409 0.959E-03 0.950E-04
DAV: 23 -0.903346685658E+02 -0.15414E-05 -0.11811E-06 512 0.558E-03
1 F= -.90334669E+02 E0= -.90343082E+02 d E =0.252404E-01