Re: [Wien] fails in the banstructure plot
Probably nobody can help without reproducing the problem. Can you send me insp, struct and output1 file (if necessary also qtl and/or irrep) to my private email. On 10/23/19 3:14 PM, Elena Derunova wrote: Dear WIEN2k users, in WIEN2k update 19.1 (installed in opensuse Leap 15.1) there is still a problem in bandstructure plotting around K/H points in the Brillouin zone: it fills bandstructure with lots of additional ticks in the .agr output file and gives a black square in the .ps output correspondingly. My data are attached. Has anyone an idea to solve the problem with the black window? Best regards, Elena Derunova. -- PhD candidate, MPI of Microstructure Physics, Weinberg 2, 06120 Halle Germany. Tel: +49 345 5582 908 ___ 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 -- P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: bl...@theochem.tuwien.ac.atWIEN2k: http://www.wien2k.at WWW: http://www.imc.tuwien.ac.at/TC_Blaha -- ___ 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] fails in the banstructure plot
Dear WIEN2k users, in WIEN2k update 19.1 (installed in opensuse Leap 15.1) there is still a problem in bandstructure plotting around K/H points in the Brillouin zone: it fills bandstructure with lots of additional ticks in the .agr output file and gives a black square in the .ps output correspondingly. My data are attached. Has anyone an idea to solve the problem with the black window? Best regards, Elena Derunova. -- PhD candidate, MPI of Microstructure Physics, Weinberg 2, 06120 Halle Germany. Tel: +49 345 5582 908 KV3Sb5_CIF_P6-mmm (1).cif Description: CIF chemical test ___ 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] Enable to plot more than first points in Analysis
Do a grep from a terminal and look at it -- probably the range is too large for w2web. On Wed, Oct 23, 2019 at 7:11 AM Luc Fruchter wrote: > Hi, > > Trying to plot the energy in w2web from a case.scf file, the plot only > shows the first 4 iterations values, although all ~ 30 energy values of > this file are displayed in the list. > > I do not have this problem on other *.scf files, and the only pecularity > that I can see with this file, is that it is a large one, due to 154 atoms. > > - thanks for your help > ___ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > > https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.theochem.tuwien.ac.at_mailman_listinfo_wien=DwICAg=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0=mHzwrKAN3B2i_2zXcemQgAU9opCTWIU0BrAN5KJ4y6w=H6pltmPlqVJI9nsx5xjFJmefuU9rhOoiS8CFLpTpda4= > SEARCH the MAILING-LIST at: > https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html=DwICAg=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0=mHzwrKAN3B2i_2zXcemQgAU9opCTWIU0BrAN5KJ4y6w=fBa3sRQksB4d65wJtg0RVQCV5rJeVq-iw8qRyPIDmNA= > -- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu Corrosion in 4D: www.numis.northwestern.edu/MURI Co-Editor, Acta Cryst A "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Gyorgi ___ 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
