Re: [Wien] QTL error TELNES
Dear Phillipe, I had recently very similar issues and following hint from Pavel Ondračka helped me: “Looks like a bug. I see something similar on the mailing list. Please apply all patches from github.com/gsabo/WIEN2k-Patches from the 21.1 directory and let me know if that helps.” Maybe it will help you, too. David On Wed 15. Dec 2021 at 16:14, Peter Blaha wrote: > Please look intoqtl.def in your folder > > What does it say for unit 10 ? In particular is there an "OLD" or > "UNKNOWN" tag ? (It should be unknown). > > Regards > > Am 15.12.2021 um 16:05 schrieb Philippe JONNARD: > > Hello, > > > > I am running WIEN version 21.1 on a machine of type server Intel > > x86_64 with operating system SUSE Linux Enterprise Server 12 SP3, > > fortran compiler Intel 18.2 and math libraries Intel MKL 18.2. I am > > using w2web to perform my calculations. > > > > I am trying to calculte EELS spectra. I start with INNES but each time > > I obtain the following error once I have clicked on the button "x -qtl > > telnes": > > > > 'QTL' - can't open unit: 10 > > 'QTL' -filename: case.vectordn > > 'QTL' - status: unknown form: unformatted > > > > I have verified that the case.vectordn file is not present in my case > > folder. I have found a discussion on the mailing list where the same > > error message is discussed but the problem seemed to come from some > > parallel vectors, which I do not know what they are. > > > > Thnak you for your help, > > > > P. Jonnard > > > > ___ > > Wien mailing list > > Wien@zeus.theochem.tuwien.ac.at > > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > SEARCH the MAILING-LIST at: > > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > > -- > --- > Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna > Phone: +43-158801165300 > Email: peter.bl...@tuwien.ac.at > WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at > - > > ___ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > -- --- *Dr David Holec* *Computational Materials Science group* Department of Materials Science Montanuniversität Leoben Franz-Josef-Strasse 18, A-8700 Leoben, Austria tel. +43-(0)3842-4024211 fax. +43-(0)3842-4024202 materials.unileoben.ac.at cms.unileoben.ac.at WHERE RESEARCH MEETS FUTURE ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] QTL error TELNES
Please look into qtl.def in your folder What does it say for unit 10 ? In particular is there an "OLD" or "UNKNOWN" tag ? (It should be unknown). Regards Am 15.12.2021 um 16:05 schrieb Philippe JONNARD: Hello, I am running WIEN version 21.1 on a machine of type server Intel x86_64 with operating system SUSE Linux Enterprise Server 12 SP3, fortran compiler Intel 18.2 and math libraries Intel MKL 18.2. I am using w2web to perform my calculations. I am trying to calculte EELS spectra. I start with INNES but each time I obtain the following error once I have clicked on the button "x -qtl telnes": 'QTL' - can't open unit: 10 'QTL' - filename: case.vectordn 'QTL' - status: unknown form: unformatted I have verified that the case.vectordn file is not present in my case folder. I have found a discussion on the mailing list where the same error message is discussed but the problem seemed to come from some parallel vectors, which I do not know what they are. Thnak you for your help, P. Jonnard ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html -- --- Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-158801165300 Email: peter.bl...@tuwien.ac.at WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at - ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[Wien] QTL error TELNES
Hello, I am running WIEN version 21.1 on a machine of type server Intel x86_64 with operating system SUSE Linux Enterprise Server 12 SP3, fortran compiler Intel 18.2 and math libraries Intel MKL 18.2. I am using w2web to perform my calculations. I am trying to calculte EELS spectra. I start with INNES but each time I obtain the following error once I have clicked on the button "x -qtl telnes": 'QTL' - can't open unit: 10 'QTL' - filename: case.vectordn 'QTL' - status: unknown form: unformatted I have verified that the case.vectordn file is not present in my case folder. I have found a discussion on the mailing list where the same error message is discussed but the problem seemed to come from some parallel vectors, which I do not know what they are. Thnak you for your help, P. Jonnard ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html