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 <[email protected]> on behalf of Riyajul Islam <[email protected]> Sent: Wednesday, April 25, 2018 1:12 PM To: [email protected] 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 Unknown libc-2.17.so<http://libc-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
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