[Wien] About executable version

P.Novak, the author of the qtl program is presently on vacations, thus I'm not sure about it. But a quick inspection of the code makes me believe, that the qtl program for SO works only on spin-polarized mode ? On the other hand, I cannot reproduce your error message while: Expression Syntax.

[Wien] lapw1 error

Looks as if you are using some old WIEN2k version with some problem in force-convergence dedection.(atest: Subscript out of range.) Anyway, this has nothing to do with lapw1 and a possible error there. What is the content of lapw1.error ? What happens, if you simply continue with another

[Wien] about compile and the example of TiC

Check the scf-file for labels with :WAR and read why the warning appeared. Most likely, some larger QTL-B warnings were issued. Eventually you may want to follow the suggestions given there. Lo_wan_2005LDA+DMFT schrieb: //Dear Wien2k users, I just compile WIEN2K in a PC-cluster, which is

[Wien] read statement cannot be completed

a) In the case.output1 I see no difference to any other output1 file. I have attached it. Btw, for now I am only using 1 k-point. You MUST see a difference ! All other output1 files should have a list of eigenvalues for each k-point. But your output1 file contains only timing infos, but no

[Wien] can wien2k do this?

,China zdw2000 at gmail.com -- ZhouDawei JiLin Universiyt ,ChangChun ,China zdw2000 at gmail.com -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080721/d3332d10/attachment.html

[Wien] read statement cannot be completed

I looked again very closely at the output1 file and now I see it. No eigenvalues indeed. Last week I changed RKM from 7.00 to 4.00 and did successful calculations with varying number of k-points. Why would it crash with to high a RKM value? In the next couple of days I will gradually increase