Dear Gavin Abo, Thank you very much for your help. I could solve it. However, I can not have the PostScript format in the w2web. However, it saves correctly. Is there any way to have it?
Regards, Mohaddeseh On 4/20/18, Gavin Abo <gs...@crimson.ua.edu> wrote: > There are fixed band.pl and scf.pl files for WIEN2k 17.1 [1-4] in the > post [1] that you can use (or band.patch and scf.patch [5,6] at [7] > could be used instead). > > If you choose to use the patch files. The following is what I do. > > First, I go to [7]. I click on band.patch on the webpage, then I click > on the Raw button followed by getting the url from the bar of my web > browser (Firefox). In other words, the url: > > https://raw.githubusercontent.com/gsabo/WIEN2k-Patches/master/17.1/band.patch > > Then in the terminal on my Linux system using the obtained url, I do for > example: > > username@computername:~/Desktop$ cd $WIENROOT/SRC_w2web/htdocs/exec > username@computername:~/WIEN2k/SRC_w2web/htdocs/exec$ wget > https://raw.githubusercontent.com/gsabo/WIEN2k-Patches/master/17.1/band.patch > ... > 2018-04-19 18:38:34 (5.32 MB/s) - ‘band.patch’ saved [63/63] > username@computername:~/WIEN2k/SRC_w2web/htdocs/exec$ wget > https://raw.githubusercontent.com/gsabo/WIEN2k-Patches/master/17.1/scf.patch > ... > 2018-04-19 18:39:10 (16.0 MB/s) - ‘scf.patch’ saved [114/114] > username@computername:~/WIEN2k/SRC_w2web/htdocs/exec$ patch -b band.pl > band.patch > patching file band.pl > username@computername:~/WIEN2k/SRC_w2web/htdocs/exec$ patch -b scf.pl > scf.patch > patching file scf.pl > > [1] > https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16069.html > (The text of the code in the post can be copied and pasted into a text > editor to create the band.pl and scf.pl files) > [2] > https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16743.html > [3] > https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16843.html > [4] > https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17179.html > [5] > https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17169.html > [6] > https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17218.html > [7] https://github.com/gsabo/WIEN2k-Patches/tree/master/17.1 > > On 4/19/2018 11:30 AM, mohaddeseh abbasnejad wrote: >> >> Dear experts, >> >> Hello, >> >> Recently, I have installed WIEN2k version 17.1. >> After I installed it successfully, I tried to test it running >> different tasks. >> Every things went as well. However, I could not do bandstructure >> calculations. >> In fact, when doing lapw1 -band command, it looks for the file with >> inc prefix in the another directory than >> the one I am doing calculations in. >> I was wondering if you can help me solving the problem. >> Thanks in advance. >> >> Regards, >> Mohaddeseh > > -- --------------------------------------------------------- Mohaddeseh Abbasnejad, Assistant Professor of Physics, Faculty of Physics, Shahid Bahonar University of Kerman, Kerman, Iran P.O. Box 76169-133 Tel: +98 34 31322199 Fax: +98 34 33257434 Cellphone: +98 917 731 7514 E-Mail: m.abbasne...@gmail.com Website: academicstaff.uk.ac.ir/moabbasnejad --------------------------------------------------------- _______________________________________________ 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