./iterations/neb0_image01_iter56_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 0.208826913070E+04 0.20883E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141283374866E+03 -0.22296E+04 -0.21421E+04 2144 0.261E+02
DAV: 3 -0.461851087404E+03 -0.32057E+03 -0.31696E+03 1896 0.107E+02
DAV: 4 -0.475357864452E+03 -0.13507E+02 -0.13283E+02 1968 0.227E+01
DAV: 5 -0.475849829832E+03 -0.49197E+00 -0.49166E+00 2096 0.381E+00 0.435E+01
DAV: 6 -0.458737209333E+03 0.17113E+02 -0.24041E+02 2048 0.319E+01 0.411E+01
DAV: 7 -0.449965238721E+03 0.87720E+01 -0.41578E+01 1772 0.140E+01 0.199E+01
DAV: 8 -0.445448144682E+03 0.45171E+01 -0.82637E+00 1816 0.707E+00 0.114E+01
DAV: 9 -0.446653481262E+03 -0.12053E+01 -0.26574E+01 2116 0.801E+00 0.101E+01
DAV: 10 -0.446124804198E+03 0.52868E+00 -0.15267E+00 1824 0.226E+00 0.910E+00
DAV: 11 -0.444942989980E+03 0.11818E+01 -0.17046E+00 1992 0.241E+00 0.584E+00
DAV: 12 -0.444678551287E+03 0.26444E+00 -0.52363E+00 2016 0.261E+00 0.108E+01
DAV: 13 -0.444542561425E+03 0.13599E+00 -0.82638E+00 1968 0.214E+00 0.373E+00
DAV: 14 -0.444510401777E+03 0.32160E-01 -0.10564E-01 1864 0.692E-01 0.340E+00
DAV: 15 -0.444390754517E+03 0.11965E+00 -0.20283E-02 2024 0.512E-01 0.115E+00
DAV: 16 -0.444403058252E+03 -0.12304E-01 -0.12884E-02 1848 0.342E-01 0.750E-01
DAV: 17 -0.444416811476E+03 -0.13753E-01 -0.10288E-01 2088 0.352E-01 0.850E-01
DAV: 18 -0.444418505310E+03 -0.16938E-02 -0.43169E-03 1912 0.176E-01 0.434E-01
DAV: 19 -0.444418220488E+03 0.28482E-03 -0.16917E-03 1880 0.942E-02 0.219E-01
DAV: 20 -0.444419420533E+03 -0.12000E-02 -0.62777E-04 1920 0.685E-02 0.537E-02
DAV: 21 -0.444420625691E+03 -0.12052E-02 -0.31375E-04 1824 0.437E-02 0.739E-02
DAV: 22 -0.444421607347E+03 -0.98166E-03 -0.17177E-04 2000 0.349E-02 0.132E-01
DAV: 23 -0.444421743679E+03 -0.13633E-03 -0.17431E-04 1960 0.409E-02 0.245E-02
DAV: 24 -0.444422218486E+03 -0.47481E-03 -0.55156E-05 1712 0.176E-02 0.168E-02
DAV: 25 -0.444422678065E+03 -0.45958E-03 -0.64644E-05 1784 0.166E-02 0.376E-02
DAV: 26 -0.444422821003E+03 -0.14294E-03 -0.19929E-05 1408 0.131E-02 0.128E-02
DAV: 27 -0.444422878866E+03 -0.57863E-04 -0.15200E-05 1360 0.903E-03 0.109E-02
DAV: 28 -0.444422893693E+03 -0.14826E-04 -0.40744E-06 944 0.565E-03 0.619E-03
DAV: 29 -0.444422915729E+03 -0.22037E-04 -0.10814E-05 1160 0.902E-03 0.167E-02
DAV: 30 -0.444422925023E+03 -0.92936E-05 -0.23877E-06 952 0.432E-03
1 F= -.44442293E+03 E0= -.44441599E+03 d E =-.207996E-01