iterations/neb0_image05_iter11_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 0.209267706699E+04 0.20927E+04 -0.11609E+05 1704 0.105E+03
DAV: 2 -0.136530570586E+03 -0.22292E+04 -0.21334E+04 2128 0.262E+02
DAV: 3 -0.463083686632E+03 -0.32655E+03 -0.32166E+03 1896 0.108E+02
DAV: 4 -0.476153454216E+03 -0.13070E+02 -0.13020E+02 1960 0.228E+01
DAV: 5 -0.476629192152E+03 -0.47574E+00 -0.47550E+00 2128 0.380E+00 0.429E+01
DAV: 6 -0.448881982163E+03 0.27747E+02 -0.15037E+02 2040 0.324E+01 0.344E+01
DAV: 7 -0.450546397510E+03 -0.16644E+01 -0.16784E+02 2012 0.164E+01 0.193E+01
DAV: 8 -0.445539821583E+03 0.50066E+01 -0.10287E+01 2000 0.108E+01 0.119E+01
DAV: 9 -0.445023090679E+03 0.51673E+00 -0.25235E+01 2040 0.848E+00 0.862E+00
DAV: 10 -0.445760157316E+03 -0.73707E+00 -0.14276E+01 2032 0.603E+00 0.106E+01
DAV: 11 -0.445337602703E+03 0.42255E+00 -0.96451E-01 1840 0.180E+00 0.987E+00
DAV: 12 -0.444516049740E+03 0.82155E+00 -0.64827E-01 2296 0.185E+00 0.652E+00
DAV: 13 -0.445169462314E+03 -0.65341E+00 -0.12201E+01 2040 0.426E+00 0.109E+01
DAV: 14 -0.444400379964E+03 0.76908E+00 -0.72127E-01 1920 0.189E+00 0.600E+00
DAV: 15 -0.444235857608E+03 0.16452E+00 -0.11709E+00 2040 0.162E+00 0.221E+00
DAV: 16 -0.444226166095E+03 0.96915E-02 -0.14086E-01 1936 0.909E-01 0.117E+00
DAV: 17 -0.444219238894E+03 0.69272E-02 -0.41579E-02 1944 0.421E-01 0.678E-01
DAV: 18 -0.444216255209E+03 0.29837E-02 -0.14655E-02 2296 0.203E-01 0.421E-01
DAV: 19 -0.444218822174E+03 -0.25670E-02 -0.92823E-03 1952 0.234E-01 0.276E-01
DAV: 20 -0.444220752332E+03 -0.19302E-02 -0.35765E-03 1960 0.135E-01 0.155E-01
DAV: 21 -0.444221152329E+03 -0.40000E-03 -0.64983E-04 1992 0.558E-02 0.127E-01
DAV: 22 -0.444222170780E+03 -0.10185E-02 -0.32815E-04 1872 0.425E-02 0.902E-02
DAV: 23 -0.444224271478E+03 -0.21007E-02 -0.10943E-03 2216 0.673E-02 0.581E-02
DAV: 24 -0.444225193218E+03 -0.92174E-03 -0.39468E-04 1952 0.461E-02 0.464E-02
DAV: 25 -0.444225965131E+03 -0.77191E-03 -0.15003E-04 1928 0.313E-02 0.457E-02
DAV: 26 -0.444226358959E+03 -0.39383E-03 -0.96417E-05 1816 0.209E-02 0.309E-02
DAV: 27 -0.444226586063E+03 -0.22710E-03 -0.35296E-05 1592 0.150E-02 0.226E-02
DAV: 28 -0.444226720357E+03 -0.13429E-03 -0.20778E-05 1432 0.116E-02 0.178E-02
DAV: 29 -0.444226806167E+03 -0.85810E-04 -0.14358E-05 1336 0.110E-02 0.110E-02
DAV: 30 -0.444226832614E+03 -0.26447E-04 -0.96474E-06 1096 0.893E-03 0.628E-03
DAV: 31 -0.444226839889E+03 -0.72756E-05 -0.47524E-06 936 0.613E-03
1 F= -.44422684E+03 E0= -.44422002E+03 d E =-.204482E-01