./iterations/neb0_image06_iter260_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 0.374173591962E+03 0.37417E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.520815296090E+01 -0.36897E+03 -0.35645E+03 858 0.194E+02
DAV: 3 -0.950826004089E+02 -0.10029E+03 -0.99908E+02 664 0.117E+02
DAV: 4 -0.999063573392E+02 -0.48238E+01 -0.48091E+01 736 0.290E+01
DAV: 5 -0.100007135859E+03 -0.10078E+00 -0.10073E+00 720 0.370E+00 0.225E+01
DAV: 6 -0.914398325226E+02 0.85673E+01 -0.30124E+01 696 0.304E+01 0.118E+01
DAV: 7 -0.906171673779E+02 0.82267E+00 -0.17611E+00 720 0.636E+00 0.480E+00
DAV: 8 -0.902428218059E+02 0.37435E+00 -0.54773E-01 712 0.413E+00 0.169E+00
DAV: 9 -0.901511697679E+02 0.91652E-01 -0.13133E-01 720 0.164E+00 0.432E-01
DAV: 10 -0.901413867777E+02 0.97830E-02 -0.34031E-02 768 0.916E-01 0.286E-01
DAV: 11 -0.901454639218E+02 -0.40771E-02 -0.11444E-02 605 0.595E-01 0.175E-01
DAV: 12 -0.901469569757E+02 -0.14931E-02 -0.36928E-03 656 0.380E-01 0.912E-02
DAV: 13 -0.901513852741E+02 -0.44283E-02 -0.28850E-03 617 0.281E-01 0.869E-02
DAV: 14 -0.901533781450E+02 -0.19929E-02 -0.52298E-04 896 0.183E-01 0.376E-02
DAV: 15 -0.901564836484E+02 -0.31055E-02 -0.67808E-04 616 0.136E-01 0.363E-02
DAV: 16 -0.901582411262E+02 -0.17575E-02 -0.20777E-04 802 0.950E-02 0.197E-02
DAV: 17 -0.901591606140E+02 -0.91949E-03 -0.20779E-04 677 0.707E-02 0.183E-02
DAV: 18 -0.901594352001E+02 -0.27459E-03 -0.31053E-05 533 0.388E-02 0.824E-03
DAV: 19 -0.901595313835E+02 -0.96183E-04 -0.37213E-05 661 0.328E-02 0.637E-03
DAV: 20 -0.901595770098E+02 -0.45626E-04 -0.66664E-06 450 0.212E-02 0.189E-03
DAV: 21 -0.901595910186E+02 -0.14009E-04 -0.28075E-06 488 0.850E-03 0.135E-03
DAV: 22 -0.901595993883E+02 -0.83697E-05 -0.12917E-06 404 0.601E-03
1 F= -.90159599E+02 E0= -.90164126E+02 d E =0.135811E-01