[Wien] SYM program

[Peter Blaha]

This is a very old comment and no longer valid.
As far as I know G.Vielsack is not in science anymore for 15 years or so
and I do not have this program either.

My suggestion is to use the standard setup for scf, and then use the
QTL-program to calculate partial charges in a coordinate system of your 
choice.

The new QTL program by Pavel Noval, which we will release in the next 
days with the next WIEN2k version, allows in very simple manner to 
select a specific coordinate system.


Ruben Weht schrieb:
> Dear Peter and Wien2k users,
> 
> In the userguide a program done by G. Vielsack, SYM, is mentioned.
> 
> If I understood well it is to compute the corresponding LMs
> for an arbitrary local rotation matrix and then to do
> a SCF calculation with that matrix and LMs.
> 
> I would appreciate it very much if you can tell me how to get
> that program or to contact Dr. vielsack.
> 
> Thanks in advance,
> 
>               Ruben
> 
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