[Wien] IFFT parameter in case.in0 for nlvdw calculation

[shamik chakrabarti]

Dear Wien2k users,

                   With the value  -1 -1 -1 for IFFT parameter and 6 for
enhancement factor the following error appears;

STOP  NLVDW END
grep: No match.
grep: No match.
grep: No match.
grep: No match.

>   stop error
ERROR status in SnS2_Vopt_accurate_IFFT_vol__-10.00

Looking forward to your reply in this regard.

with regards,


On Sat, 8 Feb 2020 at 17:10, shamik chakrabarti <shamik15041981 at gmail.com>
wrote:

> Dear Wien2k users,
>
>                          Is it necessary to reduce the IFFT parameter in
> case.in0 from 60 60 90 to -1 -1 -1 during nlvdw calculation???...I am a bit
> confused!
>
> Looking forward to your reply eagerly.
>
> with regards
>
> --
> Dr. Shamik Chakrabarti
> Research Fellow
> Department of Physics
> Indian Institute of Technology Patna
> Bihta-801103
> Patna
> Bihar, India
>


-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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