[Pw_forum] generalized eigen values
Stefano de Gironcoli
degironc at sissa.it
Wed Oct 3 13:43:42 CEST 2012
plane waves form an orthonormal basis set.
whether this defines a generalized eigenvalue problem or not depends on
what you use planewaves for.
If they expand the full vawefunction (as in norm-conserving PP) you have
a normal eigenvalue problem ,
if you expand the pseudo part of a wfc that needs to be augmented to
reconstruct the charge density (USPP or PAW) a generalized eigenvalue
On 10/03/2012 01:00 PM, Padmaja Patnaik wrote:
> Hi All
> I have a query. Anybody please can explain this.If you use the plane wave basis, will you have generalized eigenvalue problem?
> Padmaja Patnaik
> Research Scholar
> Dept of Physics
> IIT Bombay
> Mumbai, India
> Pw_forum mailing list
> Pw_forum at pwscf.org
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