[Wien] inversion symmetry

[fatemeh.mirjani]

Dear Prof.Blaha

Thank you very much for your prompt response.
*Is using the 1st klist with TEMP switch is correct?

** I do appologise for asking another question too. I have a problem with my interface code when the sample has inversion symmetry. I cannot extract good Wannier Functions from Wien when the system has inversion symmetry but for example for GaAs (no inversion symmetry) I could get Wannier Functions truely.

Is there any special point in A,B,C coeeficients when we have inversion symmetry?

Thanks for your consideration.

Best,
Fatemeh
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|Fatemeh Mirjani                              | Email: f_mirjani at ph.iut.ac.ir  |
|Computational Condensed Matter Research Lab. | Tel/Fax Office: +98311-3913746 |
|ICTP Affiliated Center in Isfahan,           | Tel Lab.: +98311-3913731       |
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