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cu_111_surface_and_k-points_sampling [2015/05/29 00:31]
krejcio
cu_111_surface_and_k-points_sampling [2015/05/29 08:11]
krejcio
Line 91: Line 91:
   nstepf = 5000   nstepf = 5000
   iquench = -6     ! -1 = MDmin, -6 = FIRE optimization   iquench = -6     ! -1 = MDmin, -6 = FIRE optimization
-  icluster = 1 +  icluster = 0 
-  iqout = 3+  iqout = 1
   dt = 0.5   dt = 0.5
   &END   &END
cu_111_surface_and_k-points_sampling.txt · Last modified: 2015/05/29 08:11 (external edit)