[Pw_forum] coefficients of plane wave

[Jia Chen]

When you run pw.x, use commend like that: pw.x -pw2casino
Moreover, you need a file named pw2casino.dat in current directory.
In that file, you would have something like following if you would like
coefficient in text format
&inputpp
blip_convert=.false.
blip_binary=.false.
blip_single_prec=.false.
blip_multiplicity=1.d0
n_points_for_test=0
/
After, you will find coefficients in a large file named prefix.pwfn.data
You also can find details about pw2casino in the manual of casino.

Cheers
Jia

On Tue, Feb 2, 2016 at 5:02 PM, Eliya Asmani <eliya6191 at gmail.com> wrote:

> Thanks, but I need them in reciprocal space.
> Can you explain me more about pw2casino?
>
> On Wed, Feb 3, 2016 at 1:20 AM, Lorenzo Paulatto <
> lorenzo.paulatto at impmc.upmc.fr> wrote:
>
>> You can also use the tool wfck2r.x from the PP directory, which would
>> write
>> out the wavefunctions in real space
>>
>>
>>
>> --
>> Dr. Lorenzo Paulatto
>> IdR @ IMPMC -- CNRS & Université Paris 6
>> +33 (0)1 44 275 084 / skype: paulatz
>> http://www.impmc.upmc.fr/~paulatto/
>> 23-24/4é16 Boîte courrier 115
>> 4 place Jussieu 75252 Paris Cédex 05
>>
>>
>> _______________________________________________
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>>
>
>
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