0 1 0.5000
23
1 0 0 0.
1-1 0 0.0001
0 0-1 0.5000
24
Regards
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I do not have a Mac, so cannot test it. But:
does the $SCRATCH directory exist ?
what gives: ls -alsrp $SCRATCH
do you see the vectorup/dn file generated by lapw1 ?
cat uplapw1.def
cat lapwso.def
Are the definitions correct ? Do you see the correct path in these def files
for the vector
: *boujnah.mourad at gmail.com*
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Something is probably wrong with your struct file, but we don't know
what without seeing it.
On 12/17/2012 12:42 PM, mourad boujnah wrote:
Dear Peter and Wien2k users,
I have always a problem in a supercell calculation in the case of space
group 225 (Fm-3m), it tells me the following error
Peter,
-Original Message-
From: Peter Blaha pbl...@theochem.tuwien.ac.at
Reply-To: A Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.at
List-Post: wien@zeus.theochem.tuwien.ac.at
Date: Mon, 17 Dec 2012 07:59:04 +0100
To: A Mailing list for WIEN2k users wien at
I have another guess, also I'm not sure if it fixes the problem. It
could be that some long pathnames get truncated:
When reading the filnames which are stored in the def files, some
older programs (like lapwso) have still
character*80 ...,fname,...
while others have changed this to
Peter,
Instead of doing change to the source code, I am asking myself a question.
For an original fcc structure in the paramagnetic state, by which I mean
there is only one atom in case.struct,
can it still be used for the runsp_lapw -so -orb for a ferromagnetic
state?
The answer seems to be
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