iterations/neb0_image02_iter33_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 0.209698119754E+04 0.20970E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.139663479407E+03 -0.22366E+04 -0.21493E+04 2152 0.261E+02
DAV: 3 -0.461966854445E+03 -0.32230E+03 -0.31850E+03 1904 0.107E+02
DAV: 4 -0.475608271826E+03 -0.13641E+02 -0.13455E+02 1944 0.227E+01
DAV: 5 -0.476124457420E+03 -0.51619E+00 -0.51577E+00 2128 0.390E+00 0.434E+01
DAV: 6 -0.456496913288E+03 0.19628E+02 -0.19439E+02 2040 0.317E+01 0.409E+01
DAV: 7 -0.452346317990E+03 0.41506E+01 -0.42831E+01 1776 0.140E+01 0.220E+01
DAV: 8 -0.445359644595E+03 0.69867E+01 -0.97537E+00 1832 0.809E+00 0.117E+01
DAV: 9 -0.446689842259E+03 -0.13302E+01 -0.48482E+01 2008 0.877E+00 0.105E+01
DAV: 10 -0.446004408661E+03 0.68543E+00 -0.17498E+00 1856 0.261E+00 0.935E+00
DAV: 11 -0.444510165374E+03 0.14942E+01 -0.29388E+00 2096 0.364E+00 0.544E+00
DAV: 12 -0.446678083881E+03 -0.21679E+01 -0.25403E+01 2064 0.375E+00 0.146E+01
DAV: 13 -0.444169163152E+03 0.25089E+01 -0.12739E+00 2064 0.361E+00 0.212E+00
DAV: 14 -0.444328520143E+03 -0.15936E+00 -0.34715E-01 1912 0.100E+00 0.803E-01
DAV: 15 -0.444334434348E+03 -0.59142E-02 -0.51901E-02 1992 0.344E-01 0.140E+00
DAV: 16 -0.444320030975E+03 0.14403E-01 -0.13611E-01 1832 0.338E-01 0.379E-01
DAV: 17 -0.444329807653E+03 -0.97767E-02 -0.92049E-03 1920 0.235E-01 0.138E-01
DAV: 18 -0.444331410958E+03 -0.16033E-02 -0.17679E-03 1984 0.885E-02 0.108E-01
DAV: 19 -0.444332161133E+03 -0.75017E-03 -0.56042E-04 1864 0.553E-02 0.732E-02
DAV: 20 -0.444333129624E+03 -0.96849E-03 -0.13549E-04 1976 0.360E-02 0.121E-01
DAV: 21 -0.444334984983E+03 -0.18554E-02 -0.30111E-04 1880 0.560E-02 0.891E-02
DAV: 22 -0.444335527405E+03 -0.54242E-03 -0.10413E-04 1896 0.286E-02 0.548E-02
DAV: 23 -0.444336157214E+03 -0.62981E-03 -0.18022E-04 1936 0.358E-02 0.239E-02
DAV: 24 -0.444336331746E+03 -0.17453E-03 -0.31203E-05 1720 0.163E-02 0.280E-02
DAV: 25 -0.444336674674E+03 -0.34293E-03 -0.47311E-05 1648 0.173E-02 0.364E-02
DAV: 26 -0.444336755465E+03 -0.80791E-04 -0.15641E-05 1360 0.993E-03 0.248E-02
DAV: 27 -0.444336780593E+03 -0.25128E-04 -0.13217E-05 1032 0.978E-03 0.130E-02
DAV: 28 -0.444336795292E+03 -0.14699E-04 -0.33986E-06 952 0.600E-03 0.644E-03
DAV: 29 -0.444336831644E+03 -0.36353E-04 -0.52313E-06 1144 0.488E-03 0.915E-03
DAV: 30 -0.444336843396E+03 -0.11752E-04 -0.94570E-07 944 0.234E-03 0.375E-03
DAV: 31 -0.444336856550E+03 -0.13154E-04 -0.69486E-07 1032 0.166E-03 0.590E-03
DAV: 32 -0.444336862176E+03 -0.56260E-05 -0.36111E-07 936 0.195E-03
1 F= -.44433686E+03 E0= -.44433062E+03 d E =-.187250E-01