[Wien] Heat Capacity

2014-07-25 Thread MAHDI SALMANI HIRMAND
Dear Prof. Blaha, Is it possible to calculate Heat Capacity at constant pressure or volume with WIEN2k package? Your's, Mahdi ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the

Re: [Wien] Heat Capacity

2014-07-25 Thread Gavin Abo
As far as I know, not with the current versions (13.1 or later) of Wien2k. Maybe with the next release [http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10640.html]? Unfortunately, the next version is apparently taking longer than originally estimated