<div>Dear WIEN2k users,</div> <div> </div> <div>when I run a job, I sometimes get warnings about </div> <div>electron number conservation (expecially </div> <div>in isolated atom computations). If I switch </div> <div>from tetra to temp in case.in2, by setting </div> <div>TEMP to 0.005, the problem stops and </div> <div>everything is fine. I want to know if the </div> <div>various methods for determining Ef have </div> <div>any effects on the details of the electronic </div> <div>structure (e.g. total energy and DOS). </div> <div>How does one choose a </div> <div>good value for TEMP or TEMPS.</div> <div> Also when you read articles, they </div> <div>say that TEMP is used to reduce the number </div> <div>k-points needed in the first BZ. Why? </div> <div>Finally is it allowed to used RMTs </div> <div>(say 1.1 and 2.4) for a particular problem </div> <div>which differ by 60% even if there are no ghost
bands </div> <div>warnings?</div> <div> </div> <div>Thank you.</div> <div> </div> <div>J. Appleton</div>