[Wien] can wien2k do this?

hank you very mch > best wishes > ZhouDawei > JiLin Universiyt ,ChangChun ,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] lapw1 error

ilman/listinfo/wien Research Scholar Materials Thermodynamics Lab Department of Metallurgical and Materials Engineering Indian Institute of Technology Madras Chennai - 600 036 India Tel: 91-044-22575763 ** A truly happy person is one who can enjoy the scenery on a detour ** - From Chandigarh to Chennai - find friends all over India. Click here. -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080721/47a86bdf/attachment.html

[Wien] lapw1 error

-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/ -- ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien - Explore your hobbies and interests. Click here to begin. -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080721/77dc76e9/attachment-0001.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 RK

[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 ei

[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] Fwd: Error in Nearest neighbor program when running TiC example

As was mentioned in another email, most likely Fedora 9 has a buggy csh. Either try to install a good csh, or try using /bin/tcsh in the first line of all $WIENROOT/*_lapw Apparently, the other user could solve his problem using Fedora 8 Itsuhiro Fujii schrieb: > Dear all > > I was in the toroub

[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 run_lapw

[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.