iterations/neb0_image01_iter26_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 0.208849256149E+04 0.20885E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.140537540490E+03 -0.22290E+04 -0.21399E+04 2136 0.261E+02
DAV: 3 -0.461894226744E+03 -0.32136E+03 -0.31774E+03 1904 0.107E+02
DAV: 4 -0.475417510696E+03 -0.13523E+02 -0.13295E+02 1968 0.227E+01
DAV: 5 -0.475901158952E+03 -0.48365E+00 -0.48335E+00 2112 0.378E+00 0.435E+01
DAV: 6 -0.458695924040E+03 0.17205E+02 -0.24079E+02 2040 0.319E+01 0.410E+01
DAV: 7 -0.451231146407E+03 0.74648E+01 -0.63127E+01 1796 0.141E+01 0.217E+01
DAV: 8 -0.445304043896E+03 0.59271E+01 -0.10616E+01 1864 0.781E+00 0.117E+01
DAV: 9 -0.444686548920E+03 0.61749E+00 -0.57852E+00 1968 0.453E+00 0.600E+00
DAV: 10 -0.444533641296E+03 0.15291E+00 -0.14379E+00 2112 0.284E+00 0.558E+00
DAV: 11 -0.444654137140E+03 -0.12050E+00 -0.44008E+00 1904 0.177E+00 0.992E+00
DAV: 12 -0.444323421890E+03 0.33072E+00 -0.46685E+00 1944 0.147E+00 0.350E+00
DAV: 13 -0.444372749240E+03 -0.49327E-01 -0.27733E-01 1952 0.681E-01 0.430E-01
DAV: 14 -0.444376789859E+03 -0.40406E-02 -0.22192E-02 1912 0.412E-01 0.240E-01
DAV: 15 -0.444382527336E+03 -0.57375E-02 -0.99333E-03 1872 0.205E-01 0.582E-01
DAV: 16 -0.444382200201E+03 0.32714E-03 -0.20608E-03 2192 0.137E-01 0.246E-01
DAV: 17 -0.444384460871E+03 -0.22607E-02 -0.11313E-03 2240 0.103E-01 0.897E-02
DAV: 18 -0.444386550210E+03 -0.20893E-02 -0.51585E-04 1904 0.532E-02 0.454E-02
DAV: 19 -0.444388257189E+03 -0.17070E-02 -0.19863E-04 1904 0.306E-02 0.772E-02
DAV: 20 -0.444389427506E+03 -0.11703E-02 -0.15594E-04 1864 0.296E-02 0.290E-02
DAV: 21 -0.444390270631E+03 -0.84312E-03 -0.10508E-04 1696 0.243E-02 0.279E-02
DAV: 22 -0.444390937855E+03 -0.66722E-03 -0.13431E-04 1816 0.256E-02 0.281E-02
DAV: 23 -0.444391048103E+03 -0.11025E-03 -0.26071E-05 1416 0.149E-02 0.158E-02
DAV: 24 -0.444391104137E+03 -0.56034E-04 -0.19693E-05 1288 0.119E-02 0.743E-03
DAV: 25 -0.444391182326E+03 -0.78188E-04 -0.79625E-06 1208 0.667E-03 0.336E-03
DAV: 26 -0.444391216033E+03 -0.33708E-04 -0.26072E-06 1080 0.359E-03 0.256E-03
DAV: 27 -0.444391233785E+03 -0.17751E-04 -0.11884E-06 960 0.278E-03 0.163E-03
DAV: 28 -0.444391247556E+03 -0.13771E-04 -0.13605E-06 1064 0.266E-03 0.224E-03
DAV: 29 -0.444391252780E+03 -0.52249E-05 -0.34997E-07 936 0.134E-03
1 F= -.44439125E+03 E0= -.44438434E+03 d E =-.207397E-01