[Wien] running wien2k with the w2web

[Josh Abeling]

I am running the wien2k software on the ace-net cluster at memorail university. It is redhat enterprise linux 5.3 running system with compiler mpif90. This cluster does not have access to the internet. I was wondering if anyone could tell me exactly what input is needed to get a .struct file running. I am working with the Cd2Re2O7 structure. I have a .struct file containing everything but the RMT, ISPLIT and local rotation matrices, but it will not run the nn and symmetry operations to get these. If anyone could give me some insight, or hints on proper type-setting as these files are very sensitive to column positions that would be much appreciated.

Joshua Abeling
Honors Student
Memorial University Newfoundland
josh_abeling at yahoo.ca



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