Running out of disk space
Check with:
df
Santhy Jaiker schrieb:
Dear Blaha,
thanks for your reply.
- Did calcultion with new version WIEN2k_8.2 only
- The content of lapw1.error
Error in LAPW1
- If i simply continue withanother run_lapw, it gives same error in the
first
Running out of memory would be a guess, but it does not fit with the
completed output1 file (even without eigenvalues).
Eventually some numerical linear dependency (which should be trapped in
principle) ?
Ludwig, Christian schrieb:
I looked again very closely at the output1 file and now I see
Dear Oleg,
till August 3rd my access to the internet is very limited. I'll check the
QTL program with your input data after returning to the Institute.
Regards
Pavel
_
Dr. Pavel Novak
Department of Magnetism and Superconductivity
Institute of
As I said before: The messagewhile: Expression Syntax.
has nothing to do with the fortran program qtl, but comes from the
x_lapw script.
In the qtl: section of this script there are lines like:
set natom=`head -2 $file.inq | tail -1 | cut -c0-10`
set iatom=1
while ($iatom = $natom)
set
PPS: Eventually try to replace bin/csh with bin/tcsh in the first line
of x_lapw (located in $WIENROOT)
Oleg Artamonov schrieb:
Dear Wien2k users,
I have used Wien2k_08_executables and successfully executed SCF for TiC as
an example.
After that, I tested the new version of QTL with next
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