iterations/neb0_image05_iter5_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.209482376518E+04 0.20948E+04 -0.11609E+05 1704 0.105E+03
DAV: 2 -0.137087839018E+03 -0.22319E+04 -0.21407E+04 2136 0.262E+02
DAV: 3 -0.462894707956E+03 -0.32581E+03 -0.32109E+03 1872 0.107E+02
DAV: 4 -0.475783087404E+03 -0.12888E+02 -0.12833E+02 1968 0.227E+01
DAV: 5 -0.476268451337E+03 -0.48536E+00 -0.48512E+00 2152 0.384E+00 0.433E+01
DAV: 6 -0.446850008465E+03 0.29418E+02 -0.14874E+02 2040 0.319E+01 0.304E+01
DAV: 7 -0.446875122699E+03 -0.25114E-01 -0.81374E+01 1928 0.142E+01 0.168E+01
DAV: 8 -0.444165369144E+03 0.27098E+01 -0.73510E+00 2080 0.110E+01 0.990E+00
DAV: 9 -0.443411328938E+03 0.75404E+00 -0.94117E+00 2096 0.605E+00 0.696E+00
DAV: 10 -0.443101948878E+03 0.30938E+00 -0.36121E+00 1832 0.311E+00 0.340E+00
DAV: 11 -0.443299297934E+03 -0.19735E+00 -0.27472E+00 2208 0.210E+00 0.477E+00
DAV: 12 -0.443110776341E+03 0.18852E+00 -0.15311E+00 1944 0.155E+00 0.475E+00
DAV: 13 -0.443130055397E+03 -0.19279E-01 -0.73710E-01 1968 0.720E-01 0.235E+00
DAV: 14 -0.443102314335E+03 0.27741E-01 -0.98189E-02 2200 0.762E-01 0.143E+00
DAV: 15 -0.443102147500E+03 0.16683E-03 -0.67724E-02 1968 0.444E-01 0.119E+00
DAV: 16 -0.443093795746E+03 0.83518E-02 -0.22670E-02 1832 0.239E-01 0.749E-01
DAV: 17 -0.443094420620E+03 -0.62487E-03 -0.14160E-03 1848 0.713E-02 0.665E-01
DAV: 18 -0.443095315405E+03 -0.89479E-03 -0.96669E-04 1976 0.753E-02 0.706E-01
DAV: 19 -0.443096349671E+03 -0.10343E-02 -0.10804E-02 1920 0.178E-01 0.617E-01
DAV: 20 -0.443095275622E+03 0.10740E-02 -0.10901E-02 2160 0.163E-01 0.345E-01
DAV: 21 -0.443098884040E+03 -0.36084E-02 -0.55007E-03 1944 0.126E-01 0.828E-01
DAV: 22 -0.443097161114E+03 0.17229E-02 -0.26478E-03 1832 0.858E-02 0.200E-01
DAV: 23 -0.443100275160E+03 -0.31140E-02 -0.81460E-04 1800 0.554E-02 0.470E-01
DAV: 24 -0.443101890587E+03 -0.16154E-02 -0.72232E-04 1840 0.527E-02 0.349E-01
DAV: 25 -0.443103255820E+03 -0.13652E-02 -0.17762E-03 1912 0.768E-02 0.219E-01
DAV: 26 -0.443103945224E+03 -0.68940E-03 -0.27154E-04 1784 0.397E-02 0.133E-01
DAV: 27 -0.443104331130E+03 -0.38591E-03 -0.16567E-04 1752 0.250E-02 0.672E-02
DAV: 28 -0.443104836128E+03 -0.50500E-03 -0.95764E-05 1768 0.174E-02 0.339E-02
DAV: 29 -0.443104966516E+03 -0.13039E-03 -0.18555E-05 1176 0.105E-02 0.298E-02
DAV: 30 -0.443105026293E+03 -0.59778E-04 -0.99860E-06 1016 0.671E-03 0.173E-02
DAV: 31 -0.443105113366E+03 -0.87072E-04 -0.23171E-05 1288 0.982E-03 0.189E-02
DAV: 32 -0.443105128674E+03 -0.15308E-04 -0.40035E-06 960 0.438E-03 0.488E-03
DAV: 33 -0.443105138856E+03 -0.10182E-04 -0.12585E-06 968 0.277E-03 0.252E-03
DAV: 34 -0.443105146016E+03 -0.71601E-05 -0.82389E-07 944 0.194E-03
1 F= -.44310515E+03 E0= -.44310026E+03 d E =-.146626E-01