iterations/neb0_image08_iter36_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 0.210425854132E+04 0.21043E+04 -0.11605E+05 1696 0.105E+03
DAV: 2 -0.141350395409E+03 -0.22456E+04 -0.21557E+04 2168 0.262E+02
DAV: 3 -0.466639022644E+03 -0.32529E+03 -0.32207E+03 1848 0.108E+02
DAV: 4 -0.478921444239E+03 -0.12282E+02 -0.12232E+02 1952 0.224E+01
DAV: 5 -0.479382457335E+03 -0.46101E+00 -0.46078E+00 2112 0.381E+00 0.428E+01
DAV: 6 -0.447654038627E+03 0.31728E+02 -0.14415E+02 1984 0.312E+01 0.271E+01
DAV: 7 -0.447991175573E+03 -0.33714E+00 -0.43068E+01 1840 0.112E+01 0.135E+01
DAV: 8 -0.447082901274E+03 0.90827E+00 -0.77889E+00 2400 0.799E+00 0.992E+00
DAV: 9 -0.446110147897E+03 0.97275E+00 -0.96495E+00 2032 0.455E+00 0.566E+00
DAV: 10 -0.446324158827E+03 -0.21401E+00 -0.95865E-01 2232 0.442E+00 0.643E+00
DAV: 11 -0.445672170322E+03 0.65199E+00 -0.15419E+00 1984 0.216E+00 0.169E+00
DAV: 12 -0.445693172740E+03 -0.21002E-01 -0.26884E-01 1920 0.118E+00 0.133E+00
DAV: 13 -0.445698188022E+03 -0.50153E-02 -0.94689E-02 1840 0.561E-01 0.984E-01
DAV: 14 -0.445723615096E+03 -0.25427E-01 -0.28924E-01 1920 0.463E-01 0.219E+00
DAV: 15 -0.445707631357E+03 0.15984E-01 -0.43327E-01 2424 0.570E-01 0.138E+00
DAV: 16 -0.445701149167E+03 0.64822E-02 -0.32880E-02 1952 0.249E-01 0.181E-01
DAV: 17 -0.445703483072E+03 -0.23339E-02 -0.40425E-03 1920 0.131E-01 0.184E-01
DAV: 18 -0.445705659983E+03 -0.21769E-02 -0.34778E-03 2080 0.110E-01 0.313E-01
DAV: 19 -0.445706183143E+03 -0.52316E-03 -0.60824E-04 1872 0.745E-02 0.855E-02
DAV: 20 -0.445708850183E+03 -0.26670E-02 -0.14924E-03 2088 0.117E-01 0.829E-02
DAV: 21 -0.445709937996E+03 -0.10878E-02 -0.53133E-04 2040 0.586E-02 0.673E-02
DAV: 22 -0.445710685836E+03 -0.74784E-03 -0.28893E-04 1920 0.427E-02 0.295E-02
DAV: 23 -0.445711331198E+03 -0.64536E-03 -0.15324E-04 1928 0.285E-02 0.108E-01
DAV: 24 -0.445711612841E+03 -0.28164E-03 -0.83207E-05 1792 0.238E-02 0.319E-02
DAV: 25 -0.445711777819E+03 -0.16498E-03 -0.30583E-05 1464 0.122E-02 0.210E-02
DAV: 26 -0.445711811355E+03 -0.33536E-04 -0.57882E-06 952 0.549E-03 0.611E-03
DAV: 27 -0.445711866186E+03 -0.54831E-04 -0.59773E-06 1072 0.595E-03 0.879E-03
DAV: 28 -0.445711893496E+03 -0.27310E-04 -0.28302E-06 976 0.427E-03 0.403E-03
DAV: 29 -0.445711904786E+03 -0.11290E-04 -0.12733E-06 936 0.243E-03 0.417E-03
DAV: 30 -0.445711917123E+03 -0.12336E-04 -0.91966E-07 1008 0.217E-03 0.258E-03
DAV: 31 -0.445711919293E+03 -0.21706E-05 -0.25717E-07 936 0.125E-03
1 F= -.44571192E+03 E0= -.44568710E+03 d E =-.744449E-01