It does sound like a problem with the setting of the environment. You
should consult your operating system documentation on how to set the
environment so that it can find the libblas.so.3gf on your system.
Usually, that involves setting an environmental variable in .bashrc or
setting a
Hard to know what is causing the problem with the given information.
Probably, there is still not enough information provided.
Maybe there is a more detailed error message in the lapwso.error file or
you might have to run directly x lapwso -up -p in a terminal (if you
are allowed to, or
I use parallel calculation
When I choose spin orbit in the self consistent calculation it does not
work,but spin polarized calculation work without any problem
With spin orbit,it says: error in parallel LAPWSO
And this is the dayfile:
* stop error*
*error: command
As far as I know, it is not possible to calculate a single Ni atom
having no crystal structure (no lattice parameters/spacegroup) with
WIEN2k, because WIEN2k is a 'periodic' structure code. I think you must
have a lattice parameter to describe the distance between atoms (the
periodicity of the
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