Dear Pavel, May I bring to your mind my problem? Regards, Oleg.
----- Original Message ----- From: "Pavel Novak" <nov...@fzu.cz> To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at> Sent: Tuesday, July 22, 2008 11:41 PM Subject: Re: [Wien] New qtl testing > Dear Oleg, > > till August 3rd my access to the internet is very limited. I'll check the > QTL program with your input data after returning to the Institute. > > Regards > Pavel > _________________________________________________ > Dr. Pavel Novak > Department of Magnetism and Superconductivity > Institute of Physics AS CR > Cukrovarnicka 10, 162 53 Praha 6, Czech Republic > tel: +420 2 20 318 532 > e-mail: novakp at fzu.cz > > On Tue, 22 Jul 2008, Oleg Artamonov wrote: > >> Dear Wien2k users, >> >> I have used Wien2k_08_executables and successfully executed SCF for TiC >> as >> an example. >> After that, I tested the new version of QTL with next case.inq. >> The case.inq is >> ************** >> -10. 10. >> 1 >> 1 2 0 0 >> 2 1 2 >> ************** >> Running x qtl gives only the message: while: Expression Syntax. >> Running qtl qtl.def creates case.outputq, but case.qtl is empty! >> Running (for testing) x lapw2 - band -qtl creates case.qtl as needed. >> >> Please, give me a cue what is wrong. >> Thanks in advance, >> Oleg Artamonov. >> >> >> _______________________________________________ >> 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 >