iterations/neb0_image03_iter52_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 0.209843840104E+04 0.20984E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.139207015650E+03 -0.22376E+04 -0.21479E+04 2160 0.262E+02
DAV: 3 -0.463996362779E+03 -0.32479E+03 -0.31926E+03 1920 0.107E+02
DAV: 4 -0.476909239049E+03 -0.12913E+02 -0.12868E+02 1952 0.227E+01
DAV: 5 -0.477362575735E+03 -0.45334E+00 -0.45307E+00 2120 0.377E+00 0.432E+01
DAV: 6 -0.453158795173E+03 0.24204E+02 -0.14751E+02 2024 0.318E+01 0.423E+01
DAV: 7 -0.453827037736E+03 -0.66824E+00 -0.83531E+01 1808 0.145E+01 0.219E+01
DAV: 8 -0.447384124769E+03 0.64429E+01 -0.99080E+00 1864 0.840E+00 0.136E+01
DAV: 9 -0.446977891250E+03 0.40623E+00 -0.20563E+01 2016 0.109E+01 0.119E+01
DAV: 10 -0.446154080790E+03 0.82381E+00 -0.38212E+00 1816 0.346E+00 0.108E+01
DAV: 11 -0.445543027091E+03 0.61105E+00 -0.37028E-01 1936 0.190E+00 0.951E+00
DAV: 12 -0.444624944184E+03 0.91808E+00 -0.33596E+00 2056 0.426E+00 0.112E+01
DAV: 13 -0.444609949134E+03 0.14995E-01 -0.71892E+00 2000 0.357E+00 0.598E+00
DAV: 14 -0.444206911624E+03 0.40304E+00 -0.27155E-01 1832 0.127E+00 0.334E+00
DAV: 15 -0.444199436462E+03 0.74752E-02 -0.12976E+00 1944 0.103E+00 0.480E+00
DAV: 16 -0.444177175224E+03 0.22261E-01 -0.65145E-01 2000 0.801E-01 0.189E+00
DAV: 17 -0.444174150368E+03 0.30249E-02 -0.18100E-02 1824 0.363E-01 0.352E-01
DAV: 18 -0.444189429716E+03 -0.15279E-01 -0.94162E-03 1936 0.232E-01 0.156E+00
DAV: 19 -0.444175480932E+03 0.13949E-01 -0.51059E-03 1912 0.211E-01 0.273E-01
DAV: 20 -0.444184047234E+03 -0.85663E-02 -0.15909E-03 1840 0.938E-02 0.146E-01
DAV: 21 -0.444184872232E+03 -0.82500E-03 -0.31196E-04 1976 0.416E-02 0.146E-01
DAV: 22 -0.444186001633E+03 -0.11294E-02 -0.13433E-04 1992 0.294E-02 0.686E-02
DAV: 23 -0.444187168685E+03 -0.11671E-02 -0.15578E-04 1888 0.348E-02 0.266E-02
DAV: 24 -0.444188250979E+03 -0.10823E-02 -0.15729E-04 1880 0.321E-02 0.159E-01
DAV: 25 -0.444188234346E+03 0.16633E-04 -0.54830E-05 1632 0.237E-02 0.961E-02
DAV: 26 -0.444188388088E+03 -0.15374E-03 -0.55520E-05 1744 0.174E-02 0.614E-02
DAV: 27 -0.444188510121E+03 -0.12203E-03 -0.68840E-06 1264 0.688E-03 0.603E-02
DAV: 28 -0.444188550294E+03 -0.40173E-04 -0.13732E-05 1288 0.110E-02 0.732E-03
DAV: 29 -0.444188595512E+03 -0.45218E-04 -0.48130E-06 976 0.541E-03 0.123E-02
DAV: 30 -0.444188610868E+03 -0.15356E-04 -0.16519E-06 936 0.406E-03 0.264E-02
DAV: 31 -0.444188620613E+03 -0.97451E-05 -0.21022E-06 960 0.445E-03
1 F= -.44418862E+03 E0= -.44417702E+03 d E =-.347877E-01