iterations/neb0_image01_iter52_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 0.366660539999E+03 0.36666E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.344687777029E+01 -0.36321E+03 -0.34976E+03 839 0.195E+02
DAV: 3 -0.956681269905E+02 -0.99115E+02 -0.98773E+02 680 0.116E+02
DAV: 4 -0.100195999889E+03 -0.45279E+01 -0.45182E+01 685 0.283E+01
DAV: 5 -0.100286902002E+03 -0.90902E-01 -0.90849E-01 744 0.356E+00 0.222E+01
DAV: 6 -0.916758425459E+02 0.86111E+01 -0.31094E+01 704 0.299E+01 0.117E+01
DAV: 7 -0.908606394098E+02 0.81520E+00 -0.18288E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904788913387E+02 0.38175E+00 -0.56038E-01 704 0.428E+00 0.168E+00
DAV: 9 -0.903935009169E+02 0.85390E-01 -0.13741E-01 704 0.165E+00 0.430E-01
DAV: 10 -0.903877644197E+02 0.57365E-02 -0.44988E-02 728 0.125E+00 0.315E-01
DAV: 11 -0.903915563286E+02 -0.37919E-02 -0.67274E-03 608 0.472E-01 0.147E-01
DAV: 12 -0.903949838444E+02 -0.34275E-02 -0.66502E-03 632 0.476E-01 0.123E-01
DAV: 13 -0.903978506665E+02 -0.28668E-02 -0.11437E-03 784 0.289E-01 0.782E-02
DAV: 14 -0.904007926531E+02 -0.29420E-02 -0.16686E-03 631 0.197E-01 0.609E-02
DAV: 15 -0.904030406488E+02 -0.22480E-02 -0.48806E-04 744 0.152E-01 0.422E-02
DAV: 16 -0.904040985171E+02 -0.10579E-02 -0.53516E-04 680 0.128E-01 0.343E-02
DAV: 17 -0.904050416053E+02 -0.94309E-03 -0.17978E-04 735 0.880E-02 0.210E-02
DAV: 18 -0.904052323782E+02 -0.19077E-03 -0.50485E-05 704 0.359E-02 0.140E-02
DAV: 19 -0.904054882649E+02 -0.25589E-03 -0.50689E-05 630 0.368E-02 0.440E-03
DAV: 20 -0.904055481995E+02 -0.59935E-04 -0.45471E-06 480 0.123E-02 0.399E-03
DAV: 21 -0.904055921587E+02 -0.43959E-04 -0.55151E-06 425 0.112E-02 0.182E-03
DAV: 22 -0.904056101518E+02 -0.17993E-04 -0.33983E-06 477 0.759E-03 0.148E-03
DAV: 23 -0.904056124359E+02 -0.22841E-05 -0.53259E-07 520 0.378E-03
1 F= -.90405612E+02 E0= -.90411064E+02 d E =0.163539E-01