Dear Wien users and Dr. Jamal,
I was trying to calculate the elastic constants of tetragonal alpha- Pt2Si
using the code developed by Dr. M. Jamal. Unfortunately, in two different
computers I got two different problems regarding this.
1. One computer says:
Too many ('s. when I gave the command
Regarding 2, in a terminal:
ls $ELASTT_PATH
In the listing, you should see the executable and fortran file,
respectively:
...
T_setupc1112
T_setupc1112.f
...
It is likely that T_setupc1112 is missing. If so, you need to recompiled
with the script buildTIRelast_lapw (and adjust settings if
Regarding 1, open in a text editor T_calljob_lapw. For example, in a
terminal:
vi $ELASTT_PATH/T_calljob_lapw.
Find the the code:
foreach j ( \
c11+c12 \
c33 \
czz \
c11-c12 \
c44 \
c66 \
*Delete the empty line here, save the file, and try running
T_calljob_lapw
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