[Pw_forum] coefficients of plane wave

[Eliya Asmani]

Thanks so much. I try it.

Best

On Wed, Feb 3, 2016 at 2:14 AM, Jia Chen <jiachenchem at gmail.com> wrote:

> 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
>>>
>>>
>>> _______________________________________________
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>
>>
>>
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>
>
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