iterations/neb0_image01_iter53_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 0.366662656973E+03 0.36666E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.344634265350E+01 -0.36322E+03 -0.34977E+03 839 0.195E+02
DAV: 3 -0.956684263888E+02 -0.99115E+02 -0.98773E+02 680 0.116E+02
DAV: 4 -0.100196163846E+03 -0.45277E+01 -0.45181E+01 685 0.283E+01
DAV: 5 -0.100287060620E+03 -0.90897E-01 -0.90844E-01 744 0.356E+00 0.222E+01
DAV: 6 -0.916759055586E+02 0.86112E+01 -0.31099E+01 704 0.299E+01 0.117E+01
DAV: 7 -0.908609474658E+02 0.81496E+00 -0.18286E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904792836147E+02 0.38166E+00 -0.56001E-01 704 0.428E+00 0.168E+00
DAV: 9 -0.903938712168E+02 0.85412E-01 -0.13743E-01 704 0.165E+00 0.430E-01
DAV: 10 -0.903881398250E+02 0.57314E-02 -0.45016E-02 728 0.125E+00 0.315E-01
DAV: 11 -0.903919333307E+02 -0.37935E-02 -0.67419E-03 608 0.472E-01 0.147E-01
DAV: 12 -0.903953575172E+02 -0.34242E-02 -0.66437E-03 632 0.476E-01 0.123E-01
DAV: 13 -0.903982239488E+02 -0.28664E-02 -0.11398E-03 784 0.288E-01 0.783E-02
DAV: 14 -0.904011667728E+02 -0.29428E-02 -0.16712E-03 631 0.197E-01 0.608E-02
DAV: 15 -0.904034130915E+02 -0.22463E-02 -0.48730E-04 744 0.152E-01 0.422E-02
DAV: 16 -0.904044704487E+02 -0.10574E-02 -0.53508E-04 680 0.128E-01 0.343E-02
DAV: 17 -0.904054148511E+02 -0.94440E-03 -0.18064E-04 735 0.883E-02 0.210E-02
DAV: 18 -0.904056049769E+02 -0.19013E-03 -0.50589E-05 704 0.359E-02 0.141E-02
DAV: 19 -0.904058596559E+02 -0.25468E-03 -0.50635E-05 630 0.369E-02 0.436E-03
DAV: 20 -0.904059199620E+02 -0.60306E-04 -0.45906E-06 480 0.124E-02 0.397E-03
DAV: 21 -0.904059638536E+02 -0.43892E-04 -0.54413E-06 425 0.110E-02 0.186E-03
DAV: 22 -0.904059819768E+02 -0.18123E-04 -0.34203E-06 477 0.762E-03 0.145E-03
DAV: 23 -0.904059842742E+02 -0.22974E-05 -0.53232E-07 520 0.376E-03
1 F= -.90405984E+02 E0= -.90411393E+02 d E =0.162254E-01