[Wien] TEMP and k-mesh
John Appleton
banger_deep at yahoo.com
Sat May 12 18:13:15 CEST 2007
Dear users,
I want to ask experienced users how to gradually
decrease TEMP broadening and increase k-mesh for
metal slab relaxation. For example, start with
(1) 5 irreducible k-points and TEMP=0.01
(2) then increase to k-mesh 8 irreducible k-points and reduce TEMP = 0.008
(3) increase k-mesh to 15 irreducible k-points and reduce TEMP = 0.005
(4) Finally 21 irreducible k-points and TEMP = 0.0035
I want to know if the above procedure is okay or
there is a smarter way to do this.
Thanks
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