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." can you run the normal x lapw2 -so -qtl ?? Oleg Artamonov schrieb: > Dear Peter, > > I have used Wien2k_08_executables and successfully executed SCF with SO for > W. > The case.inq is > ************** > -6. 2. > 1 > 1 2 0 0 > 2 1 2 > ************** > After running qtl qtl.def the output is in case.outputq, but the output > isn't affected by > QSPLIT changing in case.inq. > Running x qtl -so gives a message: while: Expression Syntax. > Please, give me a cue where I am wrong. > Thanks in advance, > Oleg > > > ----- Original Message ----- > From: "Peter Blaha" <pblaha at theochem.tuwien.ac.at> > To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at> > Sent: Thursday, July 17, 2008 1:58 PM > Subject: Re: [Wien] About executable version > > >> A new WIEN2k_08_executables.tar.gz (updated qtl) is on the web. >> >> Oleg Artamonov schrieb: >>> Dear Wien2k team leaders, >>> >>> May I ask you to update the executable version of the Wien2k for >>> downloading, especially I need the new QTL version. >>> The reason for this, that I still have problems with Wien2k compilation >>> and >>> work temporary with executable version. >>> I tried to compile QTL separately, but again got the error message: >>> qtl: error while loading shared libraries: libmkl_lapack.so: cannot open >>> shared object file: >>> No such file or directory. I have found the recent discussion about this >>> subject and I shall try to compile. >>> >>> Thank you in advance, >>> Oleg. >>> >>> >>> _______________________________________________ >>> Wien mailing list >>> Wien at zeus.theochem.tuwien.ac.at >>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> -- >> >> P.Blaha >> -------------------------------------------------------------------------- >> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna >> Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 >> Email: blaha at theochem.tuwien.ac.at WWW: >> 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 >> > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ --------------------------------------------------------------------------