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" <pbl...@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 >