[Wien] WIEN2PHON

2010-05-16 Thread Josh Abeling
Does anyone use or know much about using the WIEN2PHON interface for PHON, developed by Georg Madsen, or know if Georg Madsen still is active on this mailing list? I have run into a stand still with this program and haven't seen much activity with it in the archives of this mailing list in the

[Wien] WIEN2PHON

2010-05-10 Thread Josh Abeling
When I run the cellconv part of WIEN2PHON I am returned a line stating that the structure I am using is not a primitive cell eventhough it is. Has anyone else encountered this Nonprim cell problem, and how do I fix it? I am working with the Cd2Re2O7 structure. I am using the redhat enterprise

[Wien] WIEN2PHON

2009-07-10 Thread Atta-fynn, Raymond
Dear Dr. Madsen, I successfully compiled WIEN2PHON and executed WIEN2POSCAR and cellconv with no problem but I am having trouble with the script makedispl.pl. Each time I issue the command makedisp.pl case mode start I get the following error (apparently on line 3): Can't locate