iterations/neb0_image04_iter47_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 0.208773230378E+04 0.20877E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.141674488689E+03 -0.22294E+04 -0.21388E+04 2136 0.261E+02
DAV: 3 -0.465889927476E+03 -0.32422E+03 -0.32077E+03 1856 0.107E+02
DAV: 4 -0.478314136026E+03 -0.12424E+02 -0.12370E+02 1952 0.224E+01
DAV: 5 -0.478782694776E+03 -0.46856E+00 -0.46831E+00 2128 0.379E+00 0.429E+01
DAV: 6 -0.447716879760E+03 0.31066E+02 -0.14648E+02 2024 0.318E+01 0.380E+01
DAV: 7 -0.454418658388E+03 -0.67018E+01 -0.30130E+02 1920 0.139E+01 0.209E+01
DAV: 8 -0.448346586374E+03 0.60721E+01 -0.88091E+00 1808 0.766E+00 0.128E+01
DAV: 9 -0.446200188130E+03 0.21464E+01 -0.22661E+01 2024 0.119E+01 0.961E+00
DAV: 10 -0.445447196510E+03 0.75299E+00 -0.42809E+00 1904 0.366E+00 0.103E+01
DAV: 11 -0.444714456416E+03 0.73274E+00 -0.75945E-01 1952 0.190E+00 0.648E+00
DAV: 12 -0.445163909561E+03 -0.44945E+00 -0.99042E+00 2192 0.373E+00 0.725E+00
DAV: 13 -0.444415516335E+03 0.74839E+00 -0.93023E-01 2112 0.322E+00 0.598E+00
DAV: 14 -0.444245411009E+03 0.17011E+00 -0.22189E+00 1872 0.127E+00 0.244E+00
DAV: 15 -0.444311179637E+03 -0.65769E-01 -0.37730E-01 1944 0.806E-01 0.510E+00
DAV: 16 -0.444186973712E+03 0.12421E+00 -0.24038E-01 1800 0.445E-01 0.244E+00
DAV: 17 -0.444209526989E+03 -0.22553E-01 -0.92885E-02 1888 0.398E-01 0.627E-01
DAV: 18 -0.444239595802E+03 -0.30069E-01 -0.12156E-02 1824 0.261E-01 0.204E-01
DAV: 19 -0.444245487083E+03 -0.58913E-02 -0.55799E-03 1880 0.149E-01 0.396E-01
DAV: 20 -0.444246699369E+03 -0.12123E-02 -0.16295E-03 1904 0.762E-02 0.294E-01
DAV: 21 -0.444249699539E+03 -0.30002E-02 -0.19558E-03 1864 0.782E-02 0.146E-01
DAV: 22 -0.444253000749E+03 -0.33012E-02 -0.19442E-03 1896 0.770E-02 0.204E-01
DAV: 23 -0.444254219131E+03 -0.12184E-02 -0.10634E-03 1840 0.675E-02 0.351E-02
DAV: 24 -0.444254976779E+03 -0.75765E-03 -0.22425E-04 1768 0.315E-02 0.272E-02
DAV: 25 -0.444255415941E+03 -0.43916E-03 -0.87421E-05 1576 0.185E-02 0.616E-02
DAV: 26 -0.444255993839E+03 -0.57790E-03 -0.11131E-04 1696 0.178E-02 0.340E-02
DAV: 27 -0.444256100974E+03 -0.10713E-03 -0.32519E-05 1312 0.120E-02 0.169E-02
DAV: 28 -0.444256159223E+03 -0.58249E-04 -0.12918E-05 992 0.905E-03 0.135E-02
DAV: 29 -0.444256191254E+03 -0.32030E-04 -0.27504E-06 984 0.491E-03 0.106E-02
DAV: 30 -0.444256232917E+03 -0.41664E-04 -0.13779E-05 1096 0.112E-02 0.945E-03
DAV: 31 -0.444256254044E+03 -0.21127E-04 -0.38483E-06 1016 0.482E-03 0.551E-03
DAV: 32 -0.444256262302E+03 -0.82578E-05 -0.22693E-06 936 0.404E-03
1 F= -.44425626E+03 E0= -.44423766E+03 d E =-.558153E-01