[Wien] Reg: wannier

Elias Assmann elias.assmann at gmail.com
Wed Sep 4 20:04:05 CEST 2013


On 09/03/2013 02:28 PM, Swetarekha Ram wrote:
> Then I used x kgen -so and took the 8*8*8 mesh and got total 512 points
> in the irriducible Brillouin zone.
>
> Then I ran x lapw1
> find_bands case -2 1
> write_w2win case and then
> write_win
> In this point I got the error massage as before

Did you execute these commands manually (rather than through init_w2w)?

write_win expects to find a file "case.outputkgen_orig" (from which it 
reads symmetry operations).  init_w2w will create this as a copy 
"case.outputkgen".

	Elias



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