[Wien] New Participate

Dear all Wien2k members, I am relay happy to be one of this community Thanks a lot ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at:

[Wien] Little bit confusion related to MULT

Dear Sir Tran and fellows, Thank you too much for your answer. I am confused about the size of the supercell as I am not clear what is the role of this MULT. Equivalent atoms mean here ?. I would be glad if you can ellaborate this term more. I created 1*1*1 supercell (Complete file is attached

Re: [Wien] Fwd: Fw: Confusion relating to MULT

I am not clear what is the role of this MULT. Equivalent atoms mean here ?. I would be glad if you can ellaborate this term more. Yes, that is what it means, and that is what it says in the Wien2k 13.1 usersguide on page 41 (pdf page 58)