iterations/neb0_image03_iter34_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 0.209886532389E+04 0.20989E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.138600186989E+03 -0.22375E+04 -0.21481E+04 2152 0.262E+02
DAV: 3 -0.463878382319E+03 -0.32528E+03 -0.31980E+03 1888 0.107E+02
DAV: 4 -0.477027166530E+03 -0.13149E+02 -0.13098E+02 1968 0.229E+01
DAV: 5 -0.477498401093E+03 -0.47123E+00 -0.47100E+00 2112 0.383E+00 0.433E+01
DAV: 6 -0.452442902524E+03 0.25055E+02 -0.14679E+02 2032 0.318E+01 0.420E+01
DAV: 7 -0.454037674313E+03 -0.15948E+01 -0.12912E+02 1784 0.147E+01 0.219E+01
DAV: 8 -0.447578003133E+03 0.64597E+01 -0.97960E+00 1872 0.868E+00 0.136E+01
DAV: 9 -0.446758046165E+03 0.81996E+00 -0.14991E+01 2008 0.119E+01 0.119E+01
DAV: 10 -0.445986041591E+03 0.77200E+00 -0.44455E+00 1832 0.365E+00 0.107E+01
DAV: 11 -0.445503863809E+03 0.48218E+00 -0.32876E-01 1968 0.186E+00 0.962E+00
DAV: 12 -0.444071682593E+03 0.14322E+01 -0.19750E+00 2032 0.391E+00 0.323E+00
DAV: 13 -0.444322987751E+03 -0.25131E+00 -0.19253E+00 1840 0.210E+00 0.969E+00
DAV: 14 -0.444010904236E+03 0.31208E+00 -0.18676E+00 1920 0.103E+00 0.198E+00
DAV: 15 -0.444102751525E+03 -0.91847E-01 -0.49301E-02 1888 0.543E-01 0.142E+00
DAV: 16 -0.444099189368E+03 0.35622E-02 -0.18593E-02 1912 0.363E-01 0.820E-01
DAV: 17 -0.444106852909E+03 -0.76635E-02 -0.13274E-02 1872 0.285E-01 0.391E-01
DAV: 18 -0.444113496380E+03 -0.66435E-02 -0.66274E-03 2064 0.227E-01 0.857E-01
DAV: 19 -0.444109145521E+03 0.43509E-02 -0.22957E-03 1824 0.113E-01 0.593E-01
DAV: 20 -0.444111677473E+03 -0.25320E-02 -0.10723E-03 1896 0.852E-02 0.626E-01
DAV: 21 -0.444112415733E+03 -0.73826E-03 -0.48365E-04 1832 0.677E-02 0.267E-01
DAV: 22 -0.444114925058E+03 -0.25093E-02 -0.37969E-04 1904 0.486E-02 0.139E-01
DAV: 23 -0.444116924282E+03 -0.19992E-02 -0.29071E-04 1808 0.493E-02 0.149E-01
DAV: 24 -0.444117614132E+03 -0.68985E-03 -0.24286E-04 1864 0.406E-02 0.258E-01
DAV: 25 -0.444117276427E+03 0.33771E-03 -0.69108E-05 1904 0.220E-02 0.222E-01
DAV: 26 -0.444117336160E+03 -0.59732E-04 -0.16515E-05 1128 0.125E-02 0.181E-01
DAV: 27 -0.444117524160E+03 -0.18800E-03 -0.29927E-05 1408 0.175E-02 0.495E-02
DAV: 28 -0.444117831053E+03 -0.30689E-03 -0.21346E-05 1368 0.117E-02 0.456E-02
DAV: 29 -0.444117890915E+03 -0.59862E-04 -0.69416E-06 1104 0.751E-03 0.339E-02
DAV: 30 -0.444117930361E+03 -0.39445E-04 -0.50313E-06 1144 0.682E-03 0.107E-02
DAV: 31 -0.444117962896E+03 -0.32535E-04 -0.41023E-06 1064 0.570E-03 0.141E-02
DAV: 32 -0.444117972003E+03 -0.91079E-05 -0.15606E-06 928 0.347E-03
1 F= -.44411797E+03 E0= -.44410521E+03 d E =-.382962E-01