./iterations/neb0_image07_iter73_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 0.210231976543E+04 0.21023E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.139979068289E+03 -0.22423E+04 -0.21530E+04 2160 0.262E+02
DAV: 3 -0.465233473610E+03 -0.32525E+03 -0.32117E+03 1864 0.107E+02
DAV: 4 -0.477950746923E+03 -0.12717E+02 -0.12672E+02 1960 0.227E+01
DAV: 5 -0.478420055716E+03 -0.46931E+00 -0.46906E+00 2112 0.382E+00 0.429E+01
DAV: 6 -0.448456385409E+03 0.29964E+02 -0.14705E+02 2024 0.315E+01 0.271E+01
DAV: 7 -0.446166893909E+03 0.22895E+01 -0.25171E+01 1896 0.115E+01 0.130E+01
DAV: 8 -0.447549445704E+03 -0.13826E+01 -0.29630E+01 2400 0.760E+00 0.938E+00
DAV: 9 -0.445642517891E+03 0.19069E+01 -0.24120E+00 2128 0.459E+00 0.531E+00
DAV: 10 -0.446932891955E+03 -0.12904E+01 -0.18382E+01 2296 0.537E+00 0.884E+00
DAV: 11 -0.445414510437E+03 0.15184E+01 -0.11775E+00 2312 0.375E+00 0.165E+00
DAV: 12 -0.445558358253E+03 -0.14385E+00 -0.83941E-01 1880 0.120E+00 0.415E+00
DAV: 13 -0.445538165644E+03 0.20193E-01 -0.21059E+00 2560 0.143E+00 0.266E+00
DAV: 14 -0.445480814863E+03 0.57351E-01 -0.28999E-01 2296 0.866E-01 0.370E-01
DAV: 15 -0.445530929353E+03 -0.50114E-01 -0.28856E-01 2112 0.547E-01 0.285E+00
DAV: 16 -0.445479166061E+03 0.51763E-01 -0.24090E-01 1952 0.435E-01 0.335E-01
DAV: 17 -0.445490994762E+03 -0.11829E-01 -0.10782E-02 1960 0.261E-01 0.491E-01
DAV: 18 -0.445492731656E+03 -0.17369E-02 -0.19474E-03 1888 0.112E-01 0.428E-01
DAV: 19 -0.445493687061E+03 -0.95541E-03 -0.82574E-04 1936 0.738E-02 0.300E-01
DAV: 20 -0.445496239415E+03 -0.25524E-02 -0.25007E-03 2296 0.141E-01 0.380E-01
DAV: 21 -0.445496437798E+03 -0.19838E-03 -0.71486E-04 1848 0.694E-02 0.233E-01
DAV: 22 -0.445497063358E+03 -0.62556E-03 -0.20309E-04 1848 0.344E-02 0.167E-01
DAV: 23 -0.445497587598E+03 -0.52424E-03 -0.85013E-05 1840 0.234E-02 0.142E-01
DAV: 24 -0.445498013377E+03 -0.42578E-03 -0.14697E-04 1752 0.326E-02 0.318E-02
DAV: 25 -0.445498124656E+03 -0.11128E-03 -0.51003E-05 1792 0.167E-02 0.153E-02
DAV: 26 -0.445498151979E+03 -0.27323E-04 -0.43070E-06 936 0.559E-03 0.163E-02
DAV: 27 -0.445498205578E+03 -0.53599E-04 -0.85320E-06 1152 0.988E-03 0.131E-02
DAV: 28 -0.445498251134E+03 -0.45556E-04 -0.10256E-05 1160 0.738E-03 0.171E-02
DAV: 29 -0.445498260181E+03 -0.90472E-05 -0.14810E-06 936 0.382E-03
1 F= -.44549826E+03 E0= -.44548217E+03 d E =-.482574E-01