iterations/neb0_image04_iter6_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 0.209165158093E+04 0.20917E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.137724668873E+03 -0.22294E+04 -0.21375E+04 2136 0.261E+02
DAV: 3 -0.464095765989E+03 -0.32637E+03 -0.32270E+03 1872 0.108E+02
DAV: 4 -0.476702212586E+03 -0.12606E+02 -0.12556E+02 1928 0.226E+01
DAV: 5 -0.477205536008E+03 -0.50332E+00 -0.50303E+00 2144 0.392E+00 0.432E+01
DAV: 6 -0.446644474000E+03 0.30561E+02 -0.14647E+02 2048 0.318E+01 0.336E+01
DAV: 7 -0.450019836218E+03 -0.33754E+01 -0.87082E+01 1864 0.154E+01 0.187E+01
DAV: 8 -0.443920052372E+03 0.60998E+01 -0.83533E+00 1976 0.104E+01 0.112E+01
DAV: 9 -0.451852550189E+03 -0.79325E+01 -0.43744E+01 2184 0.142E+01 0.342E+01
DAV: 10 -0.443925159614E+03 0.79274E+01 -0.14903E+01 1792 0.448E+00 0.939E+00
DAV: 11 -0.443900029897E+03 0.25130E-01 -0.74491E+00 2032 0.203E+00 0.132E+01
DAV: 12 -0.443309800704E+03 0.59023E+00 -0.35519E+00 1984 0.114E+00 0.744E+00
DAV: 13 -0.442953010752E+03 0.35679E+00 -0.30769E-01 2000 0.156E+00 0.494E+00
DAV: 14 -0.443298868227E+03 -0.34586E+00 -0.68091E+00 2128 0.283E+00 0.804E+00
DAV: 15 -0.442663563179E+03 0.63531E+00 -0.13036E+00 1856 0.165E+00 0.290E+00
DAV: 16 -0.442723236021E+03 -0.59673E-01 -0.14787E-01 2040 0.743E-01 0.278E+00
DAV: 17 -0.442718819030E+03 0.44170E-02 -0.17758E-01 1856 0.558E-01 0.154E+00
DAV: 18 -0.442729058273E+03 -0.10239E-01 -0.32314E-02 1904 0.253E-01 0.107E+00
DAV: 19 -0.442733188490E+03 -0.41302E-02 -0.34837E-02 1896 0.173E-01 0.565E-01
DAV: 20 -0.442736528869E+03 -0.33404E-02 -0.77318E-03 1928 0.117E-01 0.224E-01
DAV: 21 -0.442740740512E+03 -0.42116E-02 -0.14954E-03 1760 0.706E-02 0.109E-01
DAV: 22 -0.442743428996E+03 -0.26885E-02 -0.95068E-04 2072 0.616E-02 0.642E-02
DAV: 23 -0.442745283342E+03 -0.18543E-02 -0.52371E-04 1888 0.597E-02 0.776E-02
DAV: 24 -0.442747386257E+03 -0.21029E-02 -0.51550E-04 1848 0.440E-02 0.695E-02
DAV: 25 -0.442748476744E+03 -0.10905E-02 -0.10371E-03 1968 0.353E-02 0.157E-01
DAV: 26 -0.442748619773E+03 -0.14303E-03 -0.26872E-04 1824 0.270E-02 0.839E-02
DAV: 27 -0.442748854132E+03 -0.23436E-03 -0.10585E-04 1424 0.141E-02 0.453E-02
DAV: 28 -0.442749093545E+03 -0.23941E-03 -0.84140E-05 1560 0.127E-02 0.188E-02
DAV: 29 -0.442749218209E+03 -0.12466E-03 -0.78602E-05 1336 0.135E-02 0.355E-02
DAV: 30 -0.442749243074E+03 -0.24865E-04 -0.17896E-05 1008 0.934E-03 0.277E-02
DAV: 31 -0.442749254983E+03 -0.11909E-04 -0.41046E-06 936 0.435E-03 0.237E-02
DAV: 32 -0.442749272128E+03 -0.17145E-04 -0.56759E-06 1016 0.523E-03 0.137E-02
DAV: 33 -0.442749283465E+03 -0.11337E-04 -0.76979E-06 928 0.656E-03 0.537E-03
DAV: 34 -0.442749286780E+03 -0.33153E-05 -0.21081E-06 912 0.340E-03
1 F= -.44274929E+03 E0= -.44273263E+03 d E =-.499670E-01