iterations/neb0_image08_iter53_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 0.210257116784E+04 0.21026E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.142084122064E+03 -0.22447E+04 -0.21543E+04 2176 0.262E+02
DAV: 3 -0.466156628178E+03 -0.32407E+03 -0.32078E+03 1824 0.108E+02
DAV: 4 -0.478935284942E+03 -0.12779E+02 -0.12728E+02 1992 0.227E+01
DAV: 5 -0.479395932008E+03 -0.46065E+00 -0.46042E+00 2088 0.381E+00 0.427E+01
DAV: 6 -0.447618151499E+03 0.31778E+02 -0.14391E+02 1992 0.310E+01 0.271E+01
DAV: 7 -0.448348564880E+03 -0.73041E+00 -0.58267E+01 1848 0.111E+01 0.136E+01
DAV: 8 -0.446889995307E+03 0.14586E+01 -0.83892E+00 2432 0.793E+00 0.995E+00
DAV: 9 -0.446428408314E+03 0.46159E+00 -0.13489E+01 2016 0.452E+00 0.555E+00
DAV: 10 -0.446066650393E+03 0.36176E+00 -0.86120E-01 2240 0.436E+00 0.589E+00
DAV: 11 -0.445798670775E+03 0.26798E+00 -0.35380E+00 1928 0.209E+00 0.329E+00
DAV: 12 -0.445782426423E+03 0.16244E-01 -0.12120E+00 1952 0.110E+00 0.239E+00
DAV: 13 -0.445787172203E+03 -0.47458E-02 -0.72490E-01 2024 0.692E-01 0.242E+00
DAV: 14 -0.445757920498E+03 0.29252E-01 -0.27713E-01 2008 0.555E-01 0.593E-01
DAV: 15 -0.445764270744E+03 -0.63502E-02 -0.15215E-02 1952 0.266E-01 0.483E-01
DAV: 16 -0.445763945811E+03 0.32493E-03 -0.46581E-03 1864 0.121E-01 0.226E-01
DAV: 17 -0.445765631062E+03 -0.16853E-02 -0.17048E-03 2008 0.906E-02 0.135E-01
DAV: 18 -0.445768312552E+03 -0.26815E-02 -0.46704E-04 1912 0.665E-02 0.405E-02
DAV: 19 -0.445770718182E+03 -0.24056E-02 -0.58838E-04 1904 0.601E-02 0.217E-01
DAV: 20 -0.445771514468E+03 -0.79629E-03 -0.43700E-04 1944 0.557E-02 0.722E-02
DAV: 21 -0.445772998832E+03 -0.14844E-02 -0.29613E-04 1768 0.347E-02 0.896E-02
DAV: 22 -0.445773558425E+03 -0.55959E-03 -0.14593E-04 1840 0.283E-02 0.352E-02
DAV: 23 -0.445773794006E+03 -0.23558E-03 -0.63724E-05 1752 0.200E-02 0.234E-02
DAV: 24 -0.445773908339E+03 -0.11433E-03 -0.24673E-05 1352 0.140E-02 0.180E-02
DAV: 25 -0.445773953938E+03 -0.45599E-04 -0.11386E-05 976 0.867E-03 0.156E-02
DAV: 26 -0.445774010174E+03 -0.56237E-04 -0.45296E-06 1056 0.536E-03 0.152E-02
DAV: 27 -0.445774044135E+03 -0.33960E-04 -0.24968E-06 1032 0.455E-03 0.698E-03
DAV: 28 -0.445774063200E+03 -0.19065E-04 -0.18516E-06 952 0.332E-03 0.479E-03
DAV: 29 -0.445774070791E+03 -0.75913E-05 -0.77654E-07 960 0.209E-03
1 F= -.44577407E+03 E0= -.44574838E+03 d E =-.770774E-01