If you are using w2web in WIEN2k 17.1, we have seen this before [
https://www.mail-archive.com/[email protected]/msg16843.html
]. The fixed band.pl and scf.pl files (or band.patch and scf.patch
files) need to be used [
https://www.mail-archive.com/[email protected]/msg17169.html
,
https://www.mail-archive.com/[email protected]/msg17294.html
].
On 5/2/2018 3:55 AM, Subhasis Panda wrote:
Dear Sir,
I have installed Wien2k 17.1 version on a PC having core i5 with
ubuntu 16.04 operating system, fortran compiler ifort, math libraries
MKL.Then I was trying to reproduce the example of TiC given in the
users-guide and successfully calculated electron density plot and DOS.
But during band structure calculation, while running lapw1-band
command the following error is showing. I'm using WIEN2k for the first
time and have not much idea about it. Any help will be highly appreciated.
forrtl: severe (24): end-of-file during read, unit 5, file
/home/anupriya/anupriya.in1c
Image PC Routine Line Source
lapw1c 000000000046C16E Unknown Unknown Unknown
lapw1c 000000000049F695 Unknown Unknown Unknown
lapw1c 00000000004427D0 parallel_mp_init_ 75 modules_tmp_.F
lapw1c 0000000000416AB2 gtfnam_ 89 gtfnam_tmp_.F
lapw1c 0000000000433329 MAIN__ 35 lapw1_tmp_.F
lapw1c 00000000004046AE Unknown Unknown Unknown
libc-2.23.so <http://libc-2.23.so/>00002B2AA003C830
__libc_start_main Unknown Unknown
lapw1c 00000000004045A9 Unknown Unknown Unknown
0.0u 0.0s 0:00.55 5.4% 0+0k 24936+0io 67pf+0w
error: command /home/anupriya/wien2k/WIEN2k_17.1/lapw1c lapw1.def
failed
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