iterations/neb0_image01_iter34_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 0.208837182850E+04 0.20884E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141162741103E+03 -0.22295E+04 -0.21421E+04 2144 0.261E+02
DAV: 3 -0.461654684659E+03 -0.32049E+03 -0.31696E+03 1888 0.107E+02
DAV: 4 -0.475115104377E+03 -0.13460E+02 -0.13264E+02 1968 0.227E+01
DAV: 5 -0.475644689692E+03 -0.52959E+00 -0.52774E+00 2120 0.386E+00 0.435E+01
DAV: 6 -0.458336218282E+03 0.17308E+02 -0.23871E+02 2048 0.318E+01 0.412E+01
DAV: 7 -0.450076276410E+03 0.82599E+01 -0.43002E+01 1756 0.138E+01 0.200E+01
DAV: 8 -0.445532837115E+03 0.45434E+01 -0.83223E+00 1800 0.713E+00 0.115E+01
DAV: 9 -0.446587743281E+03 -0.10549E+01 -0.26149E+01 2056 0.839E+00 0.995E+00
DAV: 10 -0.446075738679E+03 0.51200E+00 -0.16102E+00 1824 0.232E+00 0.902E+00
DAV: 11 -0.444909482567E+03 0.11663E+01 -0.18219E+00 1960 0.233E+00 0.576E+00
DAV: 12 -0.444953944107E+03 -0.44462E-01 -0.70580E+00 2048 0.281E+00 0.139E+01
DAV: 13 -0.444515317170E+03 0.43863E+00 -0.66536E+00 1984 0.260E+00 0.381E+00
DAV: 14 -0.444549392784E+03 -0.34076E-01 -0.15322E-01 1880 0.771E-01 0.344E+00
DAV: 15 -0.444403722553E+03 0.14567E+00 -0.24384E-02 2024 0.527E-01 0.192E+00
DAV: 16 -0.444388677932E+03 0.15045E-01 -0.51270E-02 1920 0.426E-01 0.452E-01
DAV: 17 -0.444407589957E+03 -0.18912E-01 -0.11963E-02 1936 0.279E-01 0.404E-01
DAV: 18 -0.444414403687E+03 -0.68137E-02 -0.15628E-02 1864 0.202E-01 0.606E-01
DAV: 19 -0.444413377252E+03 0.10264E-02 -0.21800E-03 1928 0.120E-01 0.215E-01
DAV: 20 -0.444414774572E+03 -0.13973E-02 -0.16044E-03 2152 0.101E-01 0.281E-01
DAV: 21 -0.444415788544E+03 -0.10140E-02 -0.84017E-04 2032 0.965E-02 0.205E-01
DAV: 22 -0.444416080290E+03 -0.29175E-03 -0.27993E-04 1840 0.374E-02 0.147E-01
DAV: 23 -0.444416468327E+03 -0.38804E-03 -0.20650E-04 1832 0.434E-02 0.320E-02
DAV: 24 -0.444416820674E+03 -0.35235E-03 -0.91378E-05 1840 0.238E-02 0.481E-02
DAV: 25 -0.444417177762E+03 -0.35709E-03 -0.29479E-05 1504 0.147E-02 0.398E-02
DAV: 26 -0.444417447008E+03 -0.26925E-03 -0.67708E-05 1784 0.198E-02 0.106E-02
DAV: 27 -0.444417493648E+03 -0.46640E-04 -0.98109E-06 1288 0.993E-03 0.493E-03
DAV: 28 -0.444417518444E+03 -0.24796E-04 -0.11586E-05 1016 0.835E-03 0.954E-03
DAV: 29 -0.444417534733E+03 -0.16289E-04 -0.19951E-06 1024 0.410E-03 0.335E-03
DAV: 30 -0.444417554102E+03 -0.19369E-04 -0.35574E-06 1032 0.488E-03 0.850E-03
DAV: 31 -0.444417560448E+03 -0.63464E-05 -0.61807E-07 936 0.237E-03
1 F= -.44441756E+03 E0= -.44441045E+03 d E =-.213179E-01