iterations/neb0_image04_iter36_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 0.208987211033E+04 0.20899E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.141747953294E+03 -0.22316E+04 -0.21408E+04 2136 0.262E+02
DAV: 3 -0.466103739961E+03 -0.32436E+03 -0.32092E+03 1864 0.107E+02
DAV: 4 -0.478510331480E+03 -0.12407E+02 -0.12352E+02 1952 0.223E+01
DAV: 5 -0.478979170406E+03 -0.46884E+00 -0.46858E+00 2136 0.380E+00 0.431E+01
DAV: 6 -0.447388483394E+03 0.31591E+02 -0.14573E+02 2040 0.316E+01 0.380E+01
DAV: 7 -0.454513041859E+03 -0.71246E+01 -0.30276E+02 1928 0.137E+01 0.209E+01
DAV: 8 -0.448430078362E+03 0.60830E+01 -0.86497E+00 1792 0.746E+00 0.126E+01
DAV: 9 -0.445905709151E+03 0.25244E+01 -0.18445E+01 2016 0.116E+01 0.952E+00
DAV: 10 -0.445135523917E+03 0.77019E+00 -0.39289E+00 1920 0.356E+00 0.105E+01
DAV: 11 -0.444501729084E+03 0.63379E+00 -0.62171E-01 1952 0.164E+00 0.605E+00
DAV: 12 -0.444887254939E+03 -0.38553E+00 -0.10593E+01 2208 0.367E+00 0.696E+00
DAV: 13 -0.444543172109E+03 0.34408E+00 -0.30645E+00 2176 0.315E+00 0.871E+00
DAV: 14 -0.444357117532E+03 0.18605E+00 -0.30057E-01 1832 0.803E-01 0.754E+00
DAV: 15 -0.444282981871E+03 0.74136E-01 -0.34022E+00 2080 0.171E+00 0.698E+00
DAV: 16 -0.444215718806E+03 0.67263E-01 -0.23574E-01 1832 0.818E-01 0.643E+00
DAV: 17 -0.444047541443E+03 0.16818E+00 -0.76992E-01 2168 0.118E+00 0.137E+00
DAV: 18 -0.444116280531E+03 -0.68739E-01 -0.62587E-02 1760 0.502E-01 0.124E+00
DAV: 19 -0.444122767702E+03 -0.64872E-02 -0.14614E-02 2176 0.196E-01 0.470E-01
DAV: 20 -0.444143471876E+03 -0.20704E-01 -0.40653E-02 1960 0.241E-01 0.126E+00
DAV: 21 -0.444138242724E+03 0.52292E-02 -0.23582E-02 2144 0.193E-01 0.561E-01
DAV: 22 -0.444141617927E+03 -0.33752E-02 -0.10762E-02 2024 0.183E-01 0.336E-01
DAV: 23 -0.444144354082E+03 -0.27362E-02 -0.12561E-03 1936 0.844E-02 0.350E-01
DAV: 24 -0.444145324157E+03 -0.97008E-03 -0.28035E-03 1912 0.797E-02 0.680E-02
DAV: 25 -0.444146656903E+03 -0.13327E-02 -0.37145E-04 1920 0.463E-02 0.135E-01
DAV: 26 -0.444147873177E+03 -0.12163E-02 -0.10564E-03 1768 0.368E-02 0.165E-01
DAV: 27 -0.444148276346E+03 -0.40317E-03 -0.41966E-04 2096 0.437E-02 0.103E-01
DAV: 28 -0.444148562901E+03 -0.28656E-03 -0.49597E-04 1832 0.273E-02 0.111E-01
DAV: 29 -0.444148711012E+03 -0.14811E-03 -0.12906E-04 1696 0.243E-02 0.535E-02
DAV: 30 -0.444148889003E+03 -0.17799E-03 -0.40229E-05 1552 0.134E-02 0.283E-02
DAV: 31 -0.444148954584E+03 -0.65580E-04 -0.91606E-06 1184 0.684E-03 0.135E-02
DAV: 32 -0.444148994358E+03 -0.39774E-04 -0.52414E-06 1048 0.511E-03 0.164E-02
DAV: 33 -0.444149007727E+03 -0.13370E-04 -0.88347E-06 960 0.412E-03 0.117E-02
DAV: 34 -0.444149017839E+03 -0.10112E-04 -0.16144E-06 984 0.265E-03 0.107E-02
DAV: 35 -0.444149019583E+03 -0.17442E-05 -0.13673E-06 912 0.183E-03
1 F= -.44414902E+03 E0= -.44412695E+03 d E =-.662048E-01