[Wien] stop error

Dear Wien2K users: I have a problem here with the Wien2K_08 and I hope to get some help here. I used Wien2K for some calculation with no problems for some 2 years. Recently I have bought a new work station and installed Wien2k there. The installation has finished with no error and I can run the

[Wien] to PBS from w2web

Please read the UG, Installation of w2web. It is briefly described how you could define a new execution type using the two script-templates qsub-wienjob_lapw and qsub-job0_*_lapw. You will have to adapt them to PBS similar as the scripts on the faq page. Jonas Baltrusaitis schrieb: Hi, I

[Wien] minor bug in qtl

Dear Kyoo Kim, thank you for pointing out the problem, I'll look at it next week when I'll be back to the Institute. Pavel Novak Dear Wien2k users, There's a minor bug in qtl program with SO calculation. When qsplit values in case.inq file for different atoms are not the same, for

[Wien] Prob in LSTART

You cannot run the O with a RMT=0.24 bohr! O NPT= 781 R0=0.0001 RMT=0.2400 Z: 8.0 Nirpendra Singh schrieb: Dear wien users I had gotten an error (written below) in LSTART 0.268u 0.008s 0:04.40 5.9%0+0k 0+920io 0pf+0w ERROR !!! nstop,iter,tets,test

[Wien] Compilation by means of gcc-gfortran 4.1.2

of return with kod 1 a lot of masseges about errors in other lapw_. If I rightly uderstand it need libraries, which? . -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20090909/aa6c5dd7/attachment.htm

[Wien] case.ints

I am working with antiferromagnetic calculus and I would like to know how to modify case inst. Does anybody have an example? I thank you beforehand.