./iterations/neb0_image03_iter45_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 0.209937902642E+04 0.20994E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.139099653105E+03 -0.22385E+04 -0.21486E+04 2160 0.262E+02
DAV: 3 -0.463974115532E+03 -0.32487E+03 -0.31911E+03 1920 0.108E+02
DAV: 4 -0.476837761195E+03 -0.12864E+02 -0.12818E+02 1952 0.227E+01
DAV: 5 -0.477297202240E+03 -0.45944E+00 -0.45920E+00 2136 0.378E+00 0.433E+01
DAV: 6 -0.453212729381E+03 0.24084E+02 -0.14741E+02 2032 0.318E+01 0.424E+01
DAV: 7 -0.453813917661E+03 -0.60119E+00 -0.83396E+01 1808 0.145E+01 0.220E+01
DAV: 8 -0.447379557966E+03 0.64344E+01 -0.98853E+00 1864 0.844E+00 0.137E+01
DAV: 9 -0.446982552485E+03 0.39701E+00 -0.20566E+01 2024 0.111E+01 0.119E+01
DAV: 10 -0.446175428395E+03 0.80712E+00 -0.39670E+00 1824 0.348E+00 0.108E+01
DAV: 11 -0.445558665951E+03 0.61676E+00 -0.39212E-01 1928 0.188E+00 0.954E+00
DAV: 12 -0.444736820034E+03 0.82185E+00 -0.40427E+00 2056 0.446E+00 0.113E+01
DAV: 13 -0.444553312138E+03 0.18351E+00 -0.68198E+00 1944 0.365E+00 0.591E+00
DAV: 14 -0.444179176135E+03 0.37414E+00 -0.26322E-01 1808 0.126E+00 0.301E+00
DAV: 15 -0.444152270173E+03 0.26906E-01 -0.66404E-01 1928 0.926E-01 0.302E+00
DAV: 16 -0.444165504988E+03 -0.13235E-01 -0.49304E-02 2008 0.660E-01 0.125E+00
DAV: 17 -0.444171363373E+03 -0.58584E-02 -0.14544E-02 1840 0.342E-01 0.153E+00
DAV: 18 -0.444166249794E+03 0.51136E-02 -0.52243E-03 1832 0.208E-01 0.130E+00
DAV: 19 -0.444165252144E+03 0.99765E-03 -0.89978E-03 2032 0.270E-01 0.852E-01
DAV: 20 -0.444168351424E+03 -0.30993E-02 -0.26301E-03 1824 0.139E-01 0.142E-01
DAV: 21 -0.444170103683E+03 -0.17523E-02 -0.59339E-04 1936 0.575E-02 0.784E-02
DAV: 22 -0.444171474239E+03 -0.13706E-02 -0.15136E-04 1840 0.352E-02 0.900E-02
DAV: 23 -0.444173350432E+03 -0.18762E-02 -0.38223E-04 1848 0.490E-02 0.172E-01
DAV: 24 -0.444173693813E+03 -0.34338E-03 -0.11567E-04 1904 0.305E-02 0.293E-02
DAV: 25 -0.444174131903E+03 -0.43809E-03 -0.62691E-05 1640 0.221E-02 0.741E-02
DAV: 26 -0.444174257490E+03 -0.12559E-03 -0.30361E-05 1464 0.152E-02 0.415E-02
DAV: 27 -0.444174345147E+03 -0.87657E-04 -0.17418E-05 1400 0.978E-03 0.877E-03
DAV: 28 -0.444174387936E+03 -0.42789E-04 -0.31015E-06 968 0.445E-03 0.558E-03
DAV: 29 -0.444174422191E+03 -0.34254E-04 -0.28668E-06 1096 0.534E-03 0.134E-02
DAV: 30 -0.444174431037E+03 -0.88459E-05 -0.18675E-06 936 0.413E-03
1 F= -.44417443E+03 E0= -.44416296E+03 d E =-.344051E-01