[Wien] (no subject)

Hello user’s wien2k I want study the structure of Cu2SnS3 but in this structure Cu and Sn are in the same position so it might be possible to do the calculation instead with a supercell can any one tell me How creating the supercell for partial occupancies thank you in advance

Re: [Wien] (no subject)

A good starting point will be the mailing list search: http://www.mail-archive.com/search?q=supercelll=wien%40zeus.theochem.tuwien.ac.at Oleg On Mon, Dec 30, 2013 at 8:53 AM, Mouna Mesbahi mouna.mesb...@yahoo.fr wrote: Hello user’s wien2k I want study the structure of Cu2SnS3 but in this