iterations/neb0_image02_iter9_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 0.208735101684E+04 0.20874E+04 -0.11605E+05 1704 0.105E+03
DAV: 2 -0.141285743529E+03 -0.22286E+04 -0.21407E+04 2144 0.261E+02
DAV: 3 -0.462868194602E+03 -0.32158E+03 -0.31632E+03 1928 0.107E+02
DAV: 4 -0.476164516879E+03 -0.13296E+02 -0.13244E+02 1928 0.228E+01
DAV: 5 -0.476627703845E+03 -0.46319E+00 -0.46287E+00 2152 0.379E+00 0.432E+01
DAV: 6 -0.454838009061E+03 0.21790E+02 -0.14899E+02 2040 0.321E+01 0.407E+01
DAV: 7 -0.452929757374E+03 0.19083E+01 -0.42143E+01 1784 0.141E+01 0.219E+01
DAV: 8 -0.446003344335E+03 0.69264E+01 -0.94089E+00 1800 0.828E+00 0.132E+01
DAV: 9 -0.447839887290E+03 -0.18365E+01 -0.28569E+01 2064 0.112E+01 0.188E+01
DAV: 10 -0.445785659708E+03 0.20542E+01 -0.14338E+01 1864 0.367E+00 0.103E+01
DAV: 11 -0.445660402001E+03 0.12526E+00 -0.23740E-01 1960 0.913E-01 0.975E+00
DAV: 12 -0.445608832998E+03 0.51569E-01 -0.32489E-02 2040 0.573E-01 0.933E+00
DAV: 13 -0.450838393506E+03 -0.52296E+01 -0.38216E+01 2080 0.537E+00 0.289E+01
DAV: 14 -0.444748295721E+03 0.60901E+01 -0.64440E+00 1784 0.279E+00 0.522E+00
DAV: 15 -0.445007317714E+03 -0.25902E+00 -0.21871E-01 1864 0.121E+00 0.490E+00
DAV: 16 -0.444647344435E+03 0.35997E+00 -0.48101E-02 1960 0.106E+00 0.352E+00
DAV: 17 -0.444350320123E+03 0.29702E+00 -0.23666E-02 2064 0.109E+00 0.308E+00
DAV: 18 -0.444254663821E+03 0.95656E-01 -0.55077E-02 1936 0.645E-01 0.238E+00
DAV: 19 -0.444262710731E+03 -0.80469E-02 -0.20891E-02 1880 0.327E-01 0.257E+00
DAV: 20 -0.444179746745E+03 0.82964E-01 -0.15301E-01 2120 0.540E-01 0.134E+00
DAV: 21 -0.444153041920E+03 0.26705E-01 -0.17147E-02 2024 0.437E-01 0.124E+00
DAV: 22 -0.444139756278E+03 0.13286E-01 -0.70161E-03 1848 0.172E-01 0.799E-01
DAV: 23 -0.444141656401E+03 -0.19001E-02 -0.17544E-03 1936 0.111E-01 0.489E-01
DAV: 24 -0.444144586201E+03 -0.29298E-02 -0.15234E-03 1936 0.109E-01 0.316E-01
DAV: 25 -0.444145715569E+03 -0.11294E-02 -0.87823E-04 1880 0.767E-02 0.265E-01
DAV: 26 -0.444146423939E+03 -0.70837E-03 -0.36103E-04 1944 0.449E-02 0.245E-01
DAV: 27 -0.444146710207E+03 -0.28627E-03 -0.17844E-04 1952 0.349E-02 0.224E-01
DAV: 28 -0.444146471879E+03 0.23833E-03 -0.60824E-05 1608 0.414E-02 0.141E-01
DAV: 29 -0.444146461857E+03 0.10022E-04 -0.12354E-04 1808 0.293E-02 0.136E-01
DAV: 30 -0.444146458213E+03 0.36448E-05 -0.35557E-05 1664 0.205E-02
1 F= -.44414646E+03 E0= -.44413934E+03 d E =-.213548E-01