./iterations/neb0_image06_iter19_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 0.209240676114E+04 0.20924E+04 -0.11609E+05 1704 0.105E+03
DAV: 2 -0.139165133511E+03 -0.22316E+04 -0.21428E+04 2136 0.262E+02
DAV: 3 -0.462357123400E+03 -0.32319E+03 -0.31889E+03 1944 0.107E+02
DAV: 4 -0.475494492247E+03 -0.13137E+02 -0.13098E+02 1944 0.227E+01
DAV: 5 -0.475941173314E+03 -0.44668E+00 -0.44636E+00 2096 0.373E+00 0.429E+01
DAV: 6 -0.449813950017E+03 0.26127E+02 -0.16886E+02 2064 0.324E+01 0.311E+01
DAV: 7 -0.447974013337E+03 0.18399E+01 -0.94662E+01 1976 0.159E+01 0.176E+01
DAV: 8 -0.446010763983E+03 0.19632E+01 -0.12447E+01 2104 0.117E+01 0.100E+01
DAV: 9 -0.445409497960E+03 0.60127E+00 -0.59523E+00 1848 0.571E+00 0.711E+00
DAV: 10 -0.444939439959E+03 0.47006E+00 -0.14458E+00 1888 0.343E+00 0.319E+00
DAV: 11 -0.445219771528E+03 -0.28033E+00 -0.39360E+00 2088 0.268E+00 0.825E+00
DAV: 12 -0.444835518594E+03 0.38425E+00 -0.30444E+00 2024 0.176E+00 0.136E+00
DAV: 13 -0.444900180441E+03 -0.64662E-01 -0.18682E-01 1912 0.932E-01 0.116E+00
DAV: 14 -0.444911297813E+03 -0.11117E-01 -0.16919E-02 1992 0.338E-01 0.128E+00
DAV: 15 -0.444898038932E+03 0.13259E-01 -0.15804E-02 2248 0.367E-01 0.243E-01
DAV: 16 -0.444901580350E+03 -0.35414E-02 -0.43165E-03 1888 0.174E-01 0.334E-01
DAV: 17 -0.444902508807E+03 -0.92846E-03 -0.88159E-03 2296 0.152E-01 0.146E-01
DAV: 18 -0.444903828717E+03 -0.13199E-02 -0.20511E-03 1936 0.810E-02 0.554E-02
DAV: 19 -0.444906180979E+03 -0.23523E-02 -0.93037E-04 1944 0.629E-02 0.156E-01
DAV: 20 -0.444907333624E+03 -0.11526E-02 -0.95335E-04 1984 0.565E-02 0.206E-02
DAV: 21 -0.444908706880E+03 -0.13733E-02 -0.39111E-04 1800 0.373E-02 0.523E-02
DAV: 22 -0.444909047293E+03 -0.34041E-03 -0.67287E-05 1696 0.174E-02 0.536E-02
DAV: 23 -0.444909195738E+03 -0.14844E-03 -0.13728E-04 1632 0.200E-02 0.959E-03
DAV: 24 -0.444909337589E+03 -0.14185E-03 -0.28404E-05 1584 0.109E-02 0.722E-03
DAV: 25 -0.444909373802E+03 -0.36213E-04 -0.53733E-06 1096 0.643E-03 0.340E-03
DAV: 26 -0.444909396495E+03 -0.22694E-04 -0.41277E-06 976 0.482E-03 0.544E-03
DAV: 27 -0.444909409402E+03 -0.12907E-04 -0.13587E-06 1016 0.242E-03 0.322E-03
DAV: 28 -0.444909420335E+03 -0.10933E-04 -0.24439E-06 960 0.400E-03 0.265E-03
DAV: 29 -0.444909425068E+03 -0.47330E-05 -0.11115E-06 936 0.236E-03
1 F= -.44490943E+03 E0= -.44490137E+03 d E =-.241519E-01