iterations/neb0_image03_iter37_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 0.209860103824E+04 0.20986E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.138967076938E+03 -0.22376E+04 -0.21478E+04 2160 0.262E+02
DAV: 3 -0.464032844687E+03 -0.32507E+03 -0.31962E+03 1896 0.107E+02
DAV: 4 -0.477088835953E+03 -0.13056E+02 -0.13007E+02 1960 0.228E+01
DAV: 5 -0.477554333048E+03 -0.46550E+00 -0.46528E+00 2128 0.381E+00 0.432E+01
DAV: 6 -0.452593518780E+03 0.24961E+02 -0.14730E+02 2032 0.318E+01 0.420E+01
DAV: 7 -0.454008298039E+03 -0.14148E+01 -0.12920E+02 1784 0.146E+01 0.219E+01
DAV: 8 -0.447533610442E+03 0.64747E+01 -0.96881E+00 1840 0.869E+00 0.136E+01
DAV: 9 -0.446846582462E+03 0.68703E+00 -0.15466E+01 2008 0.114E+01 0.120E+01
DAV: 10 -0.446035970122E+03 0.81061E+00 -0.40243E+00 1832 0.357E+00 0.108E+01
DAV: 11 -0.445483115737E+03 0.55285E+00 -0.35659E-01 1944 0.187E+00 0.959E+00
DAV: 12 -0.444286483460E+03 0.11966E+01 -0.23375E+00 2000 0.409E+00 0.867E+00
DAV: 13 -0.444504299297E+03 -0.21782E+00 -0.91069E+00 1952 0.324E+00 0.573E+00
DAV: 14 -0.444111401795E+03 0.39290E+00 -0.24997E-01 1832 0.125E+00 0.213E+00
DAV: 15 -0.444109018977E+03 0.23828E-02 -0.87602E-02 1904 0.720E-01 0.216E+00
DAV: 16 -0.444122497681E+03 -0.13479E-01 -0.31318E-02 1864 0.403E-01 0.565E-01
DAV: 17 -0.444142713489E+03 -0.20216E-01 -0.50024E-03 1928 0.225E-01 0.232E+00
DAV: 18 -0.444115606699E+03 0.27107E-01 -0.95348E-03 1976 0.357E-01 0.792E-01
DAV: 19 -0.444130963980E+03 -0.15357E-01 -0.48723E-03 1872 0.152E-01 0.744E-01
DAV: 20 -0.444128678350E+03 0.22856E-02 -0.21335E-03 1968 0.171E-01 0.471E-01
DAV: 21 -0.444130987145E+03 -0.23088E-02 -0.11215E-03 1896 0.824E-02 0.238E-01
DAV: 22 -0.444131686218E+03 -0.69907E-03 -0.20629E-04 2072 0.458E-02 0.784E-02
DAV: 23 -0.444133843611E+03 -0.21574E-02 -0.50810E-04 1848 0.575E-02 0.526E-02
DAV: 24 -0.444134522651E+03 -0.67904E-03 -0.13623E-04 1880 0.278E-02 0.505E-02
DAV: 25 -0.444134760015E+03 -0.23736E-03 -0.64136E-05 1704 0.241E-02 0.804E-02
DAV: 26 -0.444134948949E+03 -0.18893E-03 -0.51791E-05 1720 0.203E-02 0.775E-02
DAV: 27 -0.444135046408E+03 -0.97459E-04 -0.18709E-05 1248 0.128E-02 0.368E-02
DAV: 28 -0.444135146096E+03 -0.99688E-04 -0.17850E-05 1392 0.961E-03 0.248E-02
DAV: 29 -0.444135163755E+03 -0.17660E-04 -0.48230E-06 944 0.675E-03 0.118E-02
DAV: 30 -0.444135183769E+03 -0.20014E-04 -0.27399E-06 936 0.465E-03 0.461E-03
DAV: 31 -0.444135202865E+03 -0.19096E-04 -0.16701E-06 984 0.362E-03 0.208E-03
DAV: 32 -0.444135216498E+03 -0.13632E-04 -0.67518E-07 936 0.233E-03 0.342E-03
DAV: 33 -0.444135226601E+03 -0.10103E-04 -0.10114E-06 968 0.290E-03 0.187E-03
DAV: 34 -0.444135230176E+03 -0.35755E-05 -0.31021E-07 912 0.187E-03
1 F= -.44413523E+03 E0= -.44412271E+03 d E =-.375480E-01