iterations/neb0_image03_iter42_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 0.209942177924E+04 0.20994E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.139731056711E+03 -0.22392E+04 -0.21503E+04 2160 0.262E+02
DAV: 3 -0.463734539022E+03 -0.32400E+03 -0.31834E+03 1928 0.107E+02
DAV: 4 -0.476615366826E+03 -0.12881E+02 -0.12838E+02 1968 0.227E+01
DAV: 5 -0.477043478390E+03 -0.42811E+00 -0.42790E+00 2096 0.370E+00 0.433E+01
DAV: 6 -0.453375016862E+03 0.23668E+02 -0.14751E+02 2000 0.318E+01 0.424E+01
DAV: 7 -0.453493518374E+03 -0.11850E+00 -0.82920E+01 1808 0.145E+01 0.219E+01
DAV: 8 -0.447072191235E+03 0.64213E+01 -0.99852E+00 1840 0.836E+00 0.136E+01
DAV: 9 -0.446955331382E+03 0.11686E+00 -0.23635E+01 2040 0.105E+01 0.120E+01
DAV: 10 -0.446112669632E+03 0.84266E+00 -0.35677E+00 1808 0.333E+00 0.108E+01
DAV: 11 -0.445401832713E+03 0.71084E+00 -0.40129E-01 1960 0.192E+00 0.946E+00
DAV: 12 -0.444961453042E+03 0.44038E+00 -0.59516E+00 2056 0.464E+00 0.113E+01
DAV: 13 -0.444281717697E+03 0.67974E+00 -0.12200E+00 2008 0.378E+00 0.574E+00
DAV: 14 -0.444022367821E+03 0.25935E+00 -0.26310E-01 1824 0.116E+00 0.243E+00
DAV: 15 -0.444001557590E+03 0.20810E-01 -0.16343E-01 1904 0.785E-01 0.110E+00
DAV: 16 -0.444035063875E+03 -0.33506E-01 -0.36370E-02 1928 0.562E-01 0.732E-01
DAV: 17 -0.444058823264E+03 -0.23759E-01 -0.11486E-02 1872 0.306E-01 0.280E+00
DAV: 18 -0.444017330577E+03 0.41493E-01 -0.83805E-03 1976 0.313E-01 0.376E-01
DAV: 19 -0.444038381408E+03 -0.21051E-01 -0.63567E-03 1896 0.201E-01 0.638E-01
DAV: 20 -0.444037620186E+03 0.76122E-03 -0.14951E-03 1808 0.919E-02 0.274E-01
DAV: 21 -0.444038620399E+03 -0.10002E-02 -0.53288E-04 2040 0.789E-02 0.239E-01
DAV: 22 -0.444039948890E+03 -0.13285E-02 -0.39617E-04 1824 0.536E-02 0.408E-02
DAV: 23 -0.444041911234E+03 -0.19623E-02 -0.24098E-04 1800 0.456E-02 0.177E-01
DAV: 24 -0.444042911122E+03 -0.99989E-03 -0.32370E-04 1808 0.411E-02 0.682E-02
DAV: 25 -0.444043277045E+03 -0.36592E-03 -0.75094E-05 1792 0.268E-02 0.540E-02
DAV: 26 -0.444043464753E+03 -0.18771E-03 -0.34051E-05 1632 0.137E-02 0.168E-02
DAV: 27 -0.444043642447E+03 -0.17769E-03 -0.13557E-05 1312 0.949E-03 0.115E-02
DAV: 28 -0.444043714129E+03 -0.71681E-04 -0.54311E-06 1192 0.491E-03 0.584E-03
DAV: 29 -0.444043727910E+03 -0.13781E-04 -0.12355E-06 936 0.308E-03 0.900E-03
DAV: 30 -0.444043761622E+03 -0.33712E-04 -0.18580E-06 1064 0.249E-03 0.637E-03
DAV: 31 -0.444043769531E+03 -0.79090E-05 -0.50610E-07 936 0.230E-03
1 F= -.44404377E+03 E0= -.44403271E+03 d E =-.331876E-01