Thank you for the suggestion. I ran the program "x lapw1 -band -p" and it worked perfectly. I think there is some issue with the "x lapw1 -band". Again thank you for replying back to me.
On Wed, 25 Apr 2018, 6:48 pm Md. Fhokrul Islam, <fis...@hotmail.com> wrote: > Hi, > > If a system doesn't have inversion symmetry then you need to add -c switch. > Try, ' x lapw1 - c -band'. > > > best, > Fhokrul > ------------------------------ > *From:* Wien <wien-boun...@zeus.theochem.tuwien.ac.at> on behalf of > Riyajul Islam <riyaju...@gmail.com> > *Sent:* Wednesday, April 25, 2018 1:12 PM > *To:* wien@zeus.theochem.tuwien.ac.at > *Subject:* [Wien] (no subject) > > Dear WIEN2K developers, > I am running wien version 17.1 with operating system Centos7. The purpose > of my calculations is to get the ZnS bandstucture. Electron density and DOS > calculations were successful, when it comes to bandstructure I am unable to > run "x lapw1 -band" and I am getting the following error message: > > forrtl: severe (24): end-of-file during read, unit 5, file > /home/dipraj/dipraj.in1c > Image PC Routine Line Source > lapw1c 000000000046C71E Unknown Unknown Unknown > lapw1c 000000000049FE15 Unknown Unknown Unknown > lapw1c 00000000004428C4 parallel_mp_init_ 75 > modules_tmp_.F > lapw1c 0000000000416B86 gtfnam_ 89 > gtfnam_tmp_.F > lapw1c 00000000004333FD MAIN__ 35 > lapw1_tmp_.F > lapw1c 000000000040471E Unknown Unknown > Unknownlibc-2.17.so 00002B311DF79C05 __libc_start_main Unknown > Unknown > lapw1c 0000000000404629 Unknown Unknown Unknown > 0.006u 0.007s 0:00.01 0.0% 0+0k 0+0io 0pf+0w > error: command /home/dipraj/wien2k/lapw1c lapw1.def failed > > > Please help me with this issue and kindly give me a solution for it. > > Thanks > > Riyajul Islam > > NIT Nagaland > > _______________________________________________ > 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 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
