iterations/neb0_image04_iter235_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 0.367904397849E+03 0.36790E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.149991562721E+01 -0.36640E+03 -0.35502E+03 869 0.195E+02
DAV: 3 -0.960278773493E+02 -0.97528E+02 -0.97240E+02 661 0.116E+02
DAV: 4 -0.100305154669E+03 -0.42773E+01 -0.42683E+01 704 0.279E+01
DAV: 5 -0.100388668031E+03 -0.83513E-01 -0.83479E-01 728 0.349E+00 0.224E+01
DAV: 6 -0.916802727859E+02 0.87084E+01 -0.31171E+01 682 0.299E+01 0.117E+01
DAV: 7 -0.908176451715E+02 0.86263E+00 -0.17858E+00 712 0.655E+00 0.484E+00
DAV: 8 -0.904061049274E+02 0.41154E+00 -0.54320E-01 704 0.450E+00 0.177E+00
DAV: 9 -0.903151433842E+02 0.90962E-01 -0.15591E-01 720 0.206E+00 0.567E-01
DAV: 10 -0.903008536017E+02 0.14290E-01 -0.35500E-02 696 0.101E+00 0.347E-01
DAV: 11 -0.903024560715E+02 -0.16025E-02 -0.13076E-02 720 0.569E-01 0.217E-01
DAV: 12 -0.903058405509E+02 -0.33845E-02 -0.34620E-03 613 0.415E-01 0.137E-01
DAV: 13 -0.903088003123E+02 -0.29598E-02 -0.16517E-03 633 0.310E-01 0.110E-01
DAV: 14 -0.903129377097E+02 -0.41374E-02 -0.32057E-03 745 0.349E-01 0.718E-02
DAV: 15 -0.903142947529E+02 -0.13570E-02 -0.37297E-04 688 0.130E-01 0.515E-02
DAV: 16 -0.903169769630E+02 -0.26822E-02 -0.12805E-03 710 0.232E-01 0.466E-02
DAV: 17 -0.903177826658E+02 -0.80570E-03 -0.18018E-04 680 0.881E-02 0.384E-02
DAV: 18 -0.903183937348E+02 -0.61107E-03 -0.16618E-04 713 0.722E-02 0.156E-02
DAV: 19 -0.903188624789E+02 -0.46874E-03 -0.10590E-04 682 0.609E-02 0.118E-02
DAV: 20 -0.903190396332E+02 -0.17715E-03 -0.15097E-05 458 0.192E-02 0.110E-02
DAV: 21 -0.903191171954E+02 -0.77562E-04 -0.97749E-06 469 0.173E-02 0.604E-03
DAV: 22 -0.903191726454E+02 -0.55450E-04 -0.17017E-05 471 0.217E-02 0.309E-03
DAV: 23 -0.903191788386E+02 -0.61932E-05 -0.20650E-06 520 0.821E-03
1 F= -.90319179E+02 E0= -.90327394E+02 d E =0.246461E-01