iterations/neb0_image01_iter7_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 0.208827089141E+04 0.20883E+04 -0.11605E+05 1704 0.105E+03
DAV: 2 -0.140630539232E+03 -0.22289E+04 -0.21416E+04 2136 0.261E+02
DAV: 3 -0.461441722591E+03 -0.32081E+03 -0.31722E+03 1880 0.107E+02
DAV: 4 -0.475112559977E+03 -0.13671E+02 -0.13463E+02 1992 0.228E+01
DAV: 5 -0.475608845383E+03 -0.49629E+00 -0.49482E+00 2072 0.379E+00 0.435E+01
DAV: 6 -0.458723953119E+03 0.16885E+02 -0.24166E+02 2056 0.319E+01 0.412E+01
DAV: 7 -0.449849473960E+03 0.88745E+01 -0.42590E+01 1772 0.139E+01 0.199E+01
DAV: 8 -0.445383108670E+03 0.44664E+01 -0.83386E+00 1808 0.711E+00 0.115E+01
DAV: 9 -0.446552440025E+03 -0.11693E+01 -0.25783E+01 2080 0.813E+00 0.100E+01
DAV: 10 -0.446013360892E+03 0.53908E+00 -0.14393E+00 1832 0.226E+00 0.899E+00
DAV: 11 -0.444832911436E+03 0.11804E+01 -0.18105E+00 2056 0.243E+00 0.567E+00
DAV: 12 -0.444941546493E+03 -0.10864E+00 -0.72165E+00 2032 0.276E+00 0.139E+01
DAV: 13 -0.444405198459E+03 0.53635E+00 -0.59807E+00 1984 0.247E+00 0.377E+00
DAV: 14 -0.444458536645E+03 -0.53338E-01 -0.14369E-01 1880 0.779E-01 0.339E+00
DAV: 15 -0.444347599113E+03 0.11094E+00 -0.21119E-02 2096 0.482E-01 0.133E+00
DAV: 16 -0.444355382543E+03 -0.77834E-02 -0.10649E-02 1896 0.331E-01 0.104E+00
DAV: 17 -0.444361538496E+03 -0.61560E-02 -0.15676E-01 2040 0.369E-01 0.687E-01
DAV: 18 -0.444368338332E+03 -0.67998E-02 -0.42401E-03 1912 0.162E-01 0.359E-01
DAV: 19 -0.444368086992E+03 0.25134E-03 -0.15874E-03 1888 0.938E-02 0.179E-01
DAV: 20 -0.444369207589E+03 -0.11206E-02 -0.65123E-04 1960 0.668E-02 0.453E-02
DAV: 21 -0.444370216299E+03 -0.10087E-02 -0.23155E-04 1784 0.368E-02 0.613E-02
DAV: 22 -0.444371267391E+03 -0.10511E-02 -0.16413E-04 1912 0.362E-02 0.131E-01
DAV: 23 -0.444371335601E+03 -0.68210E-04 -0.15719E-04 1952 0.382E-02 0.265E-02
DAV: 24 -0.444371681929E+03 -0.34633E-03 -0.45376E-05 1688 0.188E-02 0.215E-02
DAV: 25 -0.444372155084E+03 -0.47316E-03 -0.95659E-05 1816 0.211E-02 0.353E-02
DAV: 26 -0.444372268512E+03 -0.11343E-03 -0.20464E-05 1488 0.149E-02 0.809E-03
DAV: 27 -0.444372336271E+03 -0.67759E-04 -0.23144E-05 1576 0.102E-02 0.998E-03
DAV: 28 -0.444372352766E+03 -0.16495E-04 -0.33762E-06 952 0.478E-03 0.623E-03
DAV: 29 -0.444372384090E+03 -0.31324E-04 -0.91629E-06 1176 0.834E-03 0.186E-02
DAV: 30 -0.444372387974E+03 -0.38838E-05 -0.23341E-06 912 0.400E-03
1 F= -.44437239E+03 E0= -.44436550E+03 d E =-.206778E-01