iterations/neb0_image07_iter17_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 0.209926792399E+04 0.20993E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.138788354356E+03 -0.22381E+04 -0.21526E+04 2160 0.262E+02
DAV: 3 -0.464249772172E+03 -0.32546E+03 -0.32093E+03 1864 0.107E+02
DAV: 4 -0.477107742565E+03 -0.12858E+02 -0.12813E+02 1968 0.228E+01
DAV: 5 -0.477560405179E+03 -0.45266E+00 -0.45240E+00 2128 0.375E+00 0.427E+01
DAV: 6 -0.448099046873E+03 0.29461E+02 -0.14747E+02 2024 0.316E+01 0.271E+01
DAV: 7 -0.445539336560E+03 0.25597E+01 -0.24749E+01 1864 0.116E+01 0.123E+01
DAV: 8 -0.445861861928E+03 -0.32253E+00 -0.99097E+00 2128 0.645E+00 0.803E+00
DAV: 9 -0.445512713702E+03 0.34915E+00 -0.79169E+00 2224 0.458E+00 0.813E+00
DAV: 10 -0.445469512546E+03 0.43201E-01 -0.14370E+00 2456 0.453E+00 0.480E+00
DAV: 11 -0.445057040078E+03 0.41247E+00 -0.51782E-01 1840 0.185E+00 0.320E+00
DAV: 12 -0.444971946697E+03 0.85093E-01 -0.68243E-01 2064 0.133E+00 0.912E-01
DAV: 13 -0.444986024740E+03 -0.14078E-01 -0.51834E-02 1848 0.534E-01 0.696E-01
DAV: 14 -0.445037070500E+03 -0.51046E-01 -0.34945E-01 2384 0.520E-01 0.306E+00
DAV: 15 -0.444977644260E+03 0.59426E-01 -0.28452E-01 2312 0.505E-01 0.369E-01
DAV: 16 -0.444996017066E+03 -0.18373E-01 -0.25909E-02 1968 0.353E-01 0.872E-01
DAV: 17 -0.444992468938E+03 0.35481E-02 -0.40690E-03 1896 0.192E-01 0.393E-01
DAV: 18 -0.444992536219E+03 -0.67281E-04 -0.19119E-03 1856 0.919E-02 0.219E-01
DAV: 19 -0.444993422229E+03 -0.88601E-03 -0.73112E-04 2136 0.646E-02 0.107E-01
DAV: 20 -0.444995658532E+03 -0.22363E-02 -0.78087E-04 1888 0.814E-02 0.521E-02
DAV: 21 -0.444998422118E+03 -0.27636E-02 -0.12559E-03 2048 0.816E-02 0.280E-01
DAV: 22 -0.444998343020E+03 0.79097E-04 -0.19007E-04 1832 0.354E-02 0.187E-01
DAV: 23 -0.444999277801E+03 -0.93478E-03 -0.66714E-04 2048 0.676E-02 0.442E-02
DAV: 24 -0.445000041178E+03 -0.76338E-03 -0.16739E-04 1848 0.307E-02 0.545E-02
DAV: 25 -0.445000182032E+03 -0.14085E-03 -0.51463E-05 1640 0.176E-02 0.240E-02
DAV: 26 -0.445000358638E+03 -0.17661E-03 -0.33727E-05 1616 0.178E-02 0.298E-02
DAV: 27 -0.445000413734E+03 -0.55096E-04 -0.25578E-05 1408 0.120E-02 0.277E-02
DAV: 28 -0.445000431439E+03 -0.17705E-04 -0.37424E-06 960 0.484E-03 0.153E-02
DAV: 29 -0.445000472331E+03 -0.40892E-04 -0.11920E-05 1304 0.787E-03 0.950E-03
DAV: 30 -0.445000486570E+03 -0.14239E-04 -0.21744E-06 936 0.405E-03 0.402E-03
DAV: 31 -0.445000500904E+03 -0.14334E-04 -0.90080E-07 1008 0.190E-03 0.182E-03
DAV: 32 -0.445000507634E+03 -0.67303E-05 -0.49940E-07 936 0.171E-03
1 F= -.44500051E+03 E0= -.44498526E+03 d E =-.457457E-01