iterations/neb0_image03_iter35_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 0.209878730757E+04 0.20988E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.138636735074E+03 -0.22374E+04 -0.21480E+04 2152 0.262E+02
DAV: 3 -0.463917851254E+03 -0.32528E+03 -0.31981E+03 1888 0.107E+02
DAV: 4 -0.477051537572E+03 -0.13134E+02 -0.13082E+02 1960 0.229E+01
DAV: 5 -0.477530118928E+03 -0.47858E+00 -0.47834E+00 2112 0.385E+00 0.432E+01
DAV: 6 -0.452469777525E+03 0.25060E+02 -0.14679E+02 2032 0.318E+01 0.420E+01
DAV: 7 -0.454022020205E+03 -0.15522E+01 -0.12896E+02 1784 0.146E+01 0.219E+01
DAV: 8 -0.447563213453E+03 0.64588E+01 -0.97909E+00 1848 0.867E+00 0.136E+01
DAV: 9 -0.446807622939E+03 0.75559E+00 -0.15306E+01 2024 0.117E+01 0.120E+01
DAV: 10 -0.446010086582E+03 0.79754E+00 -0.42823E+00 1832 0.361E+00 0.107E+01
DAV: 11 -0.445520642815E+03 0.48944E+00 -0.33496E-01 1968 0.185E+00 0.961E+00
DAV: 12 -0.444074831350E+03 0.14458E+01 -0.18143E+00 2032 0.379E+00 0.326E+00
DAV: 13 -0.444989979413E+03 -0.91515E+00 -0.58790E+00 1928 0.239E+00 0.121E+01
DAV: 14 -0.444000149555E+03 0.98983E+00 -0.34104E-01 1944 0.154E+00 0.387E+00
DAV: 15 -0.444076595907E+03 -0.76446E-01 -0.85537E-02 1856 0.591E-01 0.211E+00
DAV: 16 -0.444153372167E+03 -0.76776E-01 -0.18517E-01 1928 0.434E-01 0.476E+00
DAV: 17 -0.444078483685E+03 0.74888E-01 -0.25328E-01 2088 0.512E-01 0.110E+00
DAV: 18 -0.444111336266E+03 -0.32853E-01 -0.21788E-02 1992 0.447E-01 0.640E-01
DAV: 19 -0.444114883578E+03 -0.35473E-02 -0.10550E-02 1880 0.245E-01 0.428E-01
DAV: 20 -0.444115736367E+03 -0.85279E-03 -0.25417E-03 1896 0.119E-01 0.596E-01
DAV: 21 -0.444115847140E+03 -0.11077E-03 -0.30207E-03 1904 0.143E-01 0.150E-01
DAV: 22 -0.444119344090E+03 -0.34969E-02 -0.12859E-03 1928 0.865E-02 0.156E-01
DAV: 23 -0.444119824309E+03 -0.48022E-03 -0.54181E-04 1840 0.525E-02 0.775E-02
DAV: 24 -0.444121650419E+03 -0.18261E-02 -0.33986E-04 1920 0.555E-02 0.304E-01
DAV: 25 -0.444121548692E+03 0.10173E-03 -0.25397E-04 1888 0.457E-02 0.262E-01
DAV: 26 -0.444121631973E+03 -0.83281E-04 -0.17421E-04 1808 0.407E-02 0.391E-02
DAV: 27 -0.444122434087E+03 -0.80211E-03 -0.70994E-05 1696 0.203E-02 0.111E-01
DAV: 28 -0.444122538618E+03 -0.10453E-03 -0.42883E-05 1624 0.175E-02 0.215E-02
DAV: 29 -0.444122761305E+03 -0.22269E-03 -0.23389E-05 1392 0.121E-02 0.267E-02
DAV: 30 -0.444122816751E+03 -0.55446E-04 -0.74434E-06 1152 0.740E-03 0.185E-02
DAV: 31 -0.444122861396E+03 -0.44645E-04 -0.49184E-06 1120 0.604E-03 0.327E-02
DAV: 32 -0.444122868964E+03 -0.75680E-05 -0.26847E-06 952 0.529E-03
1 F= -.44412287E+03 E0= -.44411029E+03 d E =-.377325E-01