[Wien] missing case.scf file

When I run full calculations on the attached Cd2Re2O7.struct file I am not getting a case.scf file returned. I get .scf(0-2). Sometimes when I run this file I get an error for xdstart, but not always. I have run the WIEN2k calculations on many other files and never encountered this behaviour.

[Wien] WIEN2PHON

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

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] .struct files

, Mar 21, 2010 at 11:16 PM, Josh Abeling josh_abeling at yahoo.ca wrote: Has or is anyone running WIEN2k without the w2web interface and directly from the case.struct files? If so what values do I need to specify in my initial case.struct file to get things going? Joshua Abeling Memorial