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 ---------------------------------------------------------------- This message was sent using IMP, the Internet Messaging Program.
