[Pw_forum] wyckoff position builder

[marsamos at democritos.it]

Dear all, we are testing a new atomic position builder (including 
Wyckoff groups), consistent with Quantum ESPRESSO. We would like to 
test it with some "realistic" systems that you have found during your 
research (in particular orthorhombic C, trigonal R and monoclinic C). 
We would need Wychoff group, atom types, multiplicity, wyckoff letter, 
cell parameters, etc ... and the corresponding file xyz.

Thank you very much for your contribution

Layla & Riccardo Sabatini

-- 
Dr. L. Martin-Samos
tel. +39 040 3787 429
CNR-DEMOCRITOS and
International School for Advanced Studies (ISAS-SISSA)
via Beirut 2-4
34151 Trieste Italy

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