[Wien] Unmatched from x_lapw
Gavin Abo
gsabo at crimson.ua.edu
Wed Dec 28 09:14:55 CET 2016
In case others encounter the same problem, an Unmatched ". error
appeared in WIEN2k 16.1 during the scf cycles when using run_lapw or
run_lapw -p (k-point parallel mode), which appeared just before CORE END
on a computer. The source of the error was tracked down to x_lapw. An
echo is used to create a string that is piped to bc for calculating
eferm. The string is broken over multiple lines with a backslash (\)
for an escape or line continuation character. Something about the
particular system that I'm using [Ubuntu 64 bit 14.04 LTS; bc 1.06.95;
echo (GNU coreutils) 8.21; csh 20110502-2ub] is not able to translate it
as I suspect that it is working fine for others. After recombining the
string into a single line, it was able to calculate the eferm variable
value correctly again and the unmatched error went away.
If someone else wants to try it out, I put the patch file (x_lapw.patch) at:
https://github.com/gsabo/WIEN2k-Patches/tree/master/16.1
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