[Wien] gibbs calculation

2014-05-20 Thread MAHDI SALMANI HIRMAND
Dear WIEN2k users, Is there a program for finding gibbs value and therefore pressure-induced phase transition with WIEN2k? With best, Mahdi ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

Re: [Wien] gibbs calculation

2014-05-20 Thread Pavel Novak
Dekuji za moznost, budu na ni pripraveny. Zdravi Pavel Novak On Tue, 20 May 2014, MAHDI SALMANI HIRMAND wrote: Dear WIEN2k users, Is there a program for finding gibbs value and therefore pressure-induced phase transition with WIEN2k? With best, Mahdi --

[Wien] gibbs calculation

2014-05-20 Thread morteza jamal
There is a program in the next released of WIEN2k which has been provided by me. With best, Morteza ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at:

Re: [Wien] gibbs calculation

2014-05-20 Thread Víctor Luaña Cabal
On Tue, May 20, 2014 at 12:43:04AM -0700, MAHDI SALMANI HIRMAND wrote: Is there a program for finding gibbs value and therefore pressure-induced phase transition with WIEN2k? There is no M$oft-like code (a GUI) but there are three freeware tools: 1) Comput. Phys. Commun. 158 (2004) 57--72 2)

[Wien] converting spaghetti to dat

2014-05-20 Thread mouhamed mahdi
Dear wien user How can i convert Spaghetti file to a .dat one for plotting band structer with origin ThanX ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at:

Re: [Wien] converting spaghetti to dat

2014-05-20 Thread delamora
What I do is to edit spaghetti_ps, You can put titles and move them... For example, a Ni-2 band; 0.0 16.0 M /Times-Roman findfont 20.0 scalefont setfont (Ni-2) show /Times-Roman findfont 20.0 scalefont setfont (