./iterations/neb0_image03_iter58_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 0.209748675617E+04 0.20975E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.138341370684E+03 -0.22358E+04 -0.21454E+04 2152 0.262E+02
DAV: 3 -0.463661190798E+03 -0.32532E+03 -0.31949E+03 1912 0.108E+02
DAV: 4 -0.476786197497E+03 -0.13125E+02 -0.13079E+02 1952 0.229E+01
DAV: 5 -0.477242615959E+03 -0.45642E+00 -0.45617E+00 2144 0.378E+00 0.432E+01
DAV: 6 -0.453569197325E+03 0.23673E+02 -0.14801E+02 2024 0.319E+01 0.421E+01
DAV: 7 -0.453647763643E+03 -0.78566E-01 -0.83047E+01 1816 0.145E+01 0.218E+01
DAV: 8 -0.447145285589E+03 0.65025E+01 -0.99644E+00 1840 0.847E+00 0.136E+01
DAV: 9 -0.447152206924E+03 -0.69213E-02 -0.24672E+01 2008 0.107E+01 0.120E+01
DAV: 10 -0.446302429471E+03 0.84978E+00 -0.32734E+00 1816 0.332E+00 0.109E+01
DAV: 11 -0.445473820211E+03 0.82861E+00 -0.62061E-01 1976 0.202E+00 0.929E+00
DAV: 12 -0.445430010195E+03 0.43810E-01 -0.85715E+00 2112 0.483E+00 0.115E+01
DAV: 13 -0.444336019161E+03 0.10940E+01 -0.12268E+00 1992 0.380E+00 0.569E+00
DAV: 14 -0.444172095817E+03 0.16392E+00 -0.67370E-01 1848 0.109E+00 0.184E+00
DAV: 15 -0.444174932119E+03 -0.28363E-02 -0.61561E-02 1904 0.760E-01 0.102E+00
DAV: 16 -0.444208123967E+03 -0.33192E-01 -0.38798E-02 2024 0.553E-01 0.178E+00
DAV: 17 -0.444196817851E+03 0.11306E-01 -0.11738E-02 1872 0.336E-01 0.486E-01
DAV: 18 -0.444202427671E+03 -0.56098E-02 -0.43469E-03 1992 0.179E-01 0.408E-01
DAV: 19 -0.444203756755E+03 -0.13291E-02 -0.34823E-03 1888 0.140E-01 0.121E-01
DAV: 20 -0.444205382770E+03 -0.16260E-02 -0.85911E-04 1968 0.986E-02 0.275E-01
DAV: 21 -0.444205610739E+03 -0.22797E-03 -0.65150E-04 1856 0.694E-02 0.987E-02
DAV: 22 -0.444206661127E+03 -0.10504E-02 -0.14602E-04 1840 0.351E-02 0.550E-02
DAV: 23 -0.444209086535E+03 -0.24254E-02 -0.70927E-04 1848 0.651E-02 0.112E-01
DAV: 24 -0.444209167893E+03 -0.81358E-04 -0.14039E-04 1896 0.266E-02 0.124E-01
DAV: 25 -0.444209330119E+03 -0.16223E-03 -0.59692E-05 1680 0.282E-02 0.344E-02
DAV: 26 -0.444209676044E+03 -0.34592E-03 -0.68105E-05 1784 0.259E-02 0.417E-02
DAV: 27 -0.444209764996E+03 -0.88952E-04 -0.20731E-05 1272 0.114E-02 0.494E-02
DAV: 28 -0.444209798885E+03 -0.33889E-04 -0.11526E-05 1224 0.968E-03 0.199E-02
DAV: 29 -0.444209842804E+03 -0.43919E-04 -0.62201E-06 1104 0.699E-03 0.700E-03
DAV: 30 -0.444209873900E+03 -0.31096E-04 -0.23652E-06 1024 0.404E-03 0.551E-03
DAV: 31 -0.444209888651E+03 -0.14751E-04 -0.14331E-06 936 0.347E-03 0.728E-03
DAV: 32 -0.444209896074E+03 -0.74234E-05 -0.16707E-06 944 0.338E-03
1 F= -.44420990E+03 E0= -.44419924E+03 d E =-.319795E-01