iterations/neb0_image02_iter32_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 0.209694257871E+04 0.20969E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.139624552412E+03 -0.22366E+04 -0.21492E+04 2152 0.261E+02
DAV: 3 -0.461937753191E+03 -0.32231E+03 -0.31851E+03 1904 0.107E+02
DAV: 4 -0.475587059027E+03 -0.13649E+02 -0.13463E+02 1944 0.227E+01
DAV: 5 -0.476103093619E+03 -0.51603E+00 -0.51562E+00 2128 0.390E+00 0.434E+01
DAV: 6 -0.456463125105E+03 0.19640E+02 -0.19430E+02 2040 0.317E+01 0.409E+01
DAV: 7 -0.452352432565E+03 0.41107E+01 -0.42780E+01 1776 0.140E+01 0.220E+01
DAV: 8 -0.445361126753E+03 0.69913E+01 -0.97442E+00 1832 0.805E+00 0.119E+01
DAV: 9 -0.446837362447E+03 -0.14762E+01 -0.53375E+01 2024 0.898E+00 0.107E+01
DAV: 10 -0.446171305847E+03 0.66606E+00 -0.18562E+00 1864 0.267E+00 0.962E+00
DAV: 11 -0.444652589947E+03 0.15187E+01 -0.25958E+00 2152 0.341E+00 0.584E+00
DAV: 12 -0.446244391193E+03 -0.15918E+01 -0.20745E+01 2048 0.392E+00 0.141E+01
DAV: 13 -0.444225856436E+03 0.20185E+01 -0.11592E+00 2064 0.368E+00 0.346E+00
DAV: 14 -0.444324068739E+03 -0.98212E-01 -0.28220E-01 1920 0.962E-01 0.165E+00
DAV: 15 -0.444309546287E+03 0.14522E-01 -0.13225E-02 1936 0.297E-01 0.128E+00
DAV: 16 -0.444307114632E+03 0.24317E-02 -0.37570E-02 1896 0.416E-01 0.588E-01
DAV: 17 -0.444315146771E+03 -0.80321E-02 -0.59790E-03 1912 0.185E-01 0.251E-01
DAV: 18 -0.444318792610E+03 -0.36458E-02 -0.11651E-03 1880 0.786E-02 0.257E-01
DAV: 19 -0.444319482733E+03 -0.69012E-03 -0.19217E-04 1896 0.364E-02 0.217E-01
DAV: 20 -0.444322308772E+03 -0.28260E-02 -0.11011E-03 1912 0.810E-02 0.101E-01
DAV: 21 -0.444323607610E+03 -0.12988E-02 -0.58444E-04 2160 0.649E-02 0.807E-02
DAV: 22 -0.444323719446E+03 -0.11184E-03 -0.17465E-04 1848 0.294E-02 0.557E-02
DAV: 23 -0.444324014748E+03 -0.29530E-03 -0.24231E-05 1344 0.133E-02 0.609E-02
DAV: 24 -0.444324703505E+03 -0.68876E-03 -0.15189E-04 1968 0.383E-02 0.308E-02
DAV: 25 -0.444325060387E+03 -0.35688E-03 -0.10290E-04 1904 0.267E-02 0.308E-02
DAV: 26 -0.444325108640E+03 -0.48253E-04 -0.27157E-05 1344 0.134E-02 0.229E-02
DAV: 27 -0.444325190878E+03 -0.82237E-04 -0.15306E-05 1168 0.110E-02 0.228E-02
DAV: 28 -0.444325356738E+03 -0.16586E-03 -0.24294E-05 1400 0.112E-02 0.120E-02
DAV: 29 -0.444325386361E+03 -0.29623E-04 -0.37104E-06 1096 0.526E-03 0.105E-02
DAV: 30 -0.444325403931E+03 -0.17570E-04 -0.62363E-06 944 0.733E-03 0.792E-03
DAV: 31 -0.444325420077E+03 -0.16146E-04 -0.30413E-06 992 0.438E-03 0.842E-03
DAV: 32 -0.444325432695E+03 -0.12618E-04 -0.20149E-06 1000 0.349E-03 0.681E-03
DAV: 33 -0.444325441139E+03 -0.84443E-05 -0.65500E-07 936 0.225E-03
1 F= -.44432544E+03 E0= -.44431919E+03 d E =-.187418E-01