iterations/neb0_image02_iter1_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 0.209349118316E+04 0.20935E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.139279316710E+03 -0.22328E+04 -0.21425E+04 2136 0.262E+02
DAV: 3 -0.462181355114E+03 -0.32290E+03 -0.31796E+03 1904 0.107E+02
DAV: 4 -0.475728070518E+03 -0.13547E+02 -0.13490E+02 1968 0.229E+01
DAV: 5 -0.476169587380E+03 -0.44152E+00 -0.44121E+00 2096 0.373E+00 0.436E+01
DAV: 6 -0.453815359597E+03 0.22354E+02 -0.14940E+02 2040 0.319E+01 0.410E+01
DAV: 7 -0.452546757841E+03 0.12686E+01 -0.41950E+01 1800 0.142E+01 0.221E+01
DAV: 8 -0.445653975139E+03 0.68928E+01 -0.91719E+00 1848 0.874E+00 0.136E+01
DAV: 9 -0.446889898703E+03 -0.12359E+01 -0.18052E+01 2072 0.116E+01 0.134E+01
DAV: 10 -0.445893292529E+03 0.99661E+00 -0.34824E+00 1872 0.354E+00 0.111E+01
DAV: 11 -0.445432562538E+03 0.46073E+00 -0.25722E-01 1976 0.123E+00 0.100E+01
DAV: 12 -0.444147469473E+03 0.12851E+01 -0.13027E+00 2096 0.252E+00 0.656E+00
DAV: 13 -0.444491293046E+03 -0.34382E+00 -0.10613E+01 2088 0.361E+00 0.137E+01
DAV: 14 -0.443470840248E+03 0.10205E+01 -0.66234E-01 1896 0.239E+00 0.358E+00
DAV: 15 -0.443636066371E+03 -0.16523E+00 -0.20827E-01 1904 0.991E-01 0.380E+00
DAV: 16 -0.443486376023E+03 0.14969E+00 -0.29235E-01 1904 0.722E-01 0.848E-01
DAV: 17 -0.443509359047E+03 -0.22983E-01 -0.18583E-02 1888 0.321E-01 0.644E-01
DAV: 18 -0.443509397333E+03 -0.38285E-04 -0.12303E-02 1984 0.326E-01 0.575E-01
DAV: 19 -0.443517242541E+03 -0.78452E-02 -0.76793E-03 1960 0.235E-01 0.880E-01
DAV: 20 -0.443511935035E+03 0.53075E-02 -0.35878E-03 1896 0.172E-01 0.304E-01
DAV: 21 -0.443515054720E+03 -0.31197E-02 -0.64341E-04 1840 0.623E-02 0.388E-01
DAV: 22 -0.443515275761E+03 -0.22104E-03 -0.72154E-04 2208 0.104E-01 0.174E-01
DAV: 23 -0.443516632302E+03 -0.13565E-02 -0.50599E-04 1896 0.521E-02 0.135E-01
DAV: 24 -0.443517139214E+03 -0.50691E-03 -0.11908E-04 2088 0.323E-02 0.103E-01
DAV: 25 -0.443517749871E+03 -0.61066E-03 -0.13460E-04 1920 0.328E-02 0.234E-02
DAV: 26 -0.443518335206E+03 -0.58533E-03 -0.66166E-05 1768 0.206E-02 0.723E-02
DAV: 27 -0.443518638960E+03 -0.30375E-03 -0.48008E-05 1664 0.213E-02 0.372E-02
DAV: 28 -0.443518759294E+03 -0.12033E-03 -0.23713E-05 1432 0.113E-02 0.195E-02
DAV: 29 -0.443518838507E+03 -0.79212E-04 -0.83670E-06 1216 0.751E-03 0.590E-03
DAV: 30 -0.443518909938E+03 -0.71431E-04 -0.13159E-05 1280 0.987E-03 0.289E-02
DAV: 31 -0.443518919082E+03 -0.91438E-05 -0.35703E-06 1040 0.550E-03
1 F= -.44351892E+03 E0= -.44350991E+03 d E =-.270209E-01