Just use:
x lapw2 -c -up/dn -so -p -qtl
(-eece is used to tell the programs to calculate the HF-potential and to apply
it in lapw1/lapwso). For the DOS you will use these eigenvalues and you do not
need to specify -eece.
PS: When you want a better k-mesh or a band structure, you must use
x
Dear Wien2k team leaders,
May I ask you to update the executable version of the Wien2k for
downloading, especially I need the new QTL version.
The reason for this, that I still have problems with Wien2k compilation and
work temporary with executable version.
I tried to compile QTL separately,
A new WIEN2k_08_executables.tar.gz (updated qtl) is on the web.
Oleg Artamonov schrieb:
Dear Wien2k team leaders,
May I ask you to update the executable version of the Wien2k for
downloading, especially I need the new QTL version.
The reason for this, that I still have problems with Wien2k
your favourite Yahoo! Group.
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While this will probably work, a word of caution. In some recent linux
versions LD_LIBRARY_PATH is not exported when you run a job using the
at command, so this may not work in all cases. The best solution
is probably to ensure that the ifort/mkl libraries are appropriately
added. Some options:
1)
at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
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