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cu_111_surface_and_k-points_sampling [2015/05/29 07:56]
krejcio
cu_111_surface_and_k-points_sampling [2015/05/29 08:11] (current)
Line 92: Line 92:
   iquench = -6     ! -1 = MDmin, -6 = FIRE optimization   iquench = -6     ! -1 = MDmin, -6 = FIRE optimization
   icluster = 0   icluster = 0
-  iqout = 3+  iqout = 1
   dt = 0.5   dt = 0.5
   &END   &END
cu_111_surface_and_k-points_sampling.1432878979.txt.gz ยท Last modified: 2015/05/29 07:56 (external edit)