[ase-users] How to make monoclinic structure

[Duy Le]

I don't think you can simply use monoclinic module for making
structure for such compound.
You should define by yourself if you want a lattice with more than 1 element.
See ase.lattice.compound module for examples.
--------------------------------------------------
Duy Le
PhD Candidate
Department of Physics
University of Central Florida.

"Men don't need hand to do things"



2011/8/19 Jens Jørgen Mortensen <jensj at fysik.dtu.dk>:
> fre, 12 08 2011 kl. 14:31 +0200, skrev Samira Siahrostami:
>> Hi,
>>
>> I am wondering if anyone has made Monoclinic structure. I am trying to
>> make Monoclinic structure of WO3 using GPAW. The Monoclinic command in
>> ASE web page does not work (see the attached file)!!
>>
>> I would be appreciated if you could give me a suggestion.
>
> Anybody able to help here?
>
> Jens Jørgen
>
>> Best regards,
>>
>> Samira
>>
>
>
>
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