[Wien] Reg: wannier

[Swetarekha Ram]

Respected Sir,

  I have not use the init_w2w. I have done this manually by executing the
command one by one.
Thanking You


On Wed, Sep 4, 2013 at 11:34 PM, Elias Assmann <elias.assmann at gmail.com>wrote:

> 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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-- 
Swetarekha Ram,
Research Scholar,
Dept. of Physics,
IIT Hyderabad.
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