iterations/neb0_image08_iter31_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 0.376868044617E+03 0.37687E+03 -0.14290E+04 624 0.799E+02
DAV: 2 0.372906859705E+01 -0.37314E+03 -0.35940E+03 869 0.196E+02
DAV: 3 -0.967434570939E+02 -0.10047E+03 -0.10014E+03 680 0.117E+02
DAV: 4 -0.101121561957E+03 -0.43781E+01 -0.43675E+01 704 0.279E+01
DAV: 5 -0.101205229521E+03 -0.83668E-01 -0.83634E-01 728 0.350E+00 0.229E+01
DAV: 6 -0.924726675219E+02 0.87326E+01 -0.30748E+01 685 0.303E+01 0.120E+01
DAV: 7 -0.915760246324E+02 0.89664E+00 -0.17152E+00 720 0.618E+00 0.481E+00
DAV: 8 -0.911977020057E+02 0.37832E+00 -0.54802E-01 712 0.398E+00 0.166E+00
DAV: 9 -0.911132175981E+02 0.84484E-01 -0.13163E-01 704 0.155E+00 0.432E-01
DAV: 10 -0.911036563218E+02 0.95613E-02 -0.45399E-02 752 0.112E+00 0.303E-01
DAV: 11 -0.911085505821E+02 -0.48943E-02 -0.14201E-02 608 0.625E-01 0.165E-01
DAV: 12 -0.911110877181E+02 -0.25371E-02 -0.24783E-03 642 0.217E-01 0.124E-01
DAV: 13 -0.911155431119E+02 -0.44554E-02 -0.34479E-03 639 0.308E-01 0.656E-02
DAV: 14 -0.911180617891E+02 -0.25187E-02 -0.63989E-04 688 0.149E-01 0.267E-02
DAV: 15 -0.911203411079E+02 -0.22793E-02 -0.25901E-04 634 0.657E-02 0.172E-02
DAV: 16 -0.911212816160E+02 -0.94051E-03 -0.77920E-05 613 0.429E-02 0.990E-03
DAV: 17 -0.911218834366E+02 -0.60182E-03 -0.63989E-05 564 0.309E-02 0.833E-03
DAV: 18 -0.911220025740E+02 -0.11914E-03 -0.80706E-06 496 0.200E-02 0.350E-03
DAV: 19 -0.911220852513E+02 -0.82677E-04 -0.21673E-05 470 0.215E-02 0.546E-03
DAV: 20 -0.911220864048E+02 -0.11535E-05 -0.14887E-06 544 0.104E-02
1 F= -.91122086E+02 E0= -.91127307E+02 d E =0.156626E-01