[Wien] what mesh (real space) is used in WIEN2k? (Artem Urubkov)

[Fred Nastos]

On August 26, 2004 08:22 am, auru wrote:
>  Dear WIEN users! Reading UG, I saw that logariphmic mesh is used.
> Could you explain me, where is it used

I'm not sure what you mean by "where is it used"?  Where in
the code, or where in the unit cell.  A logarithmic mesh is used
in the "muffin-tin" region, which are spherical.  This is discussed
in the user guide, and is the standard mesh that is used (90%
of all atomic physics codes I have seen use an
exponential/logarithmic mesh).  

If you asked, where in the code is it used?  Lots of places.  Look
in outwin.f (in many SRC_lapw1/) for example.

> and what kind of mesh is used in interstitial?

No real-space mesh is used in the interstitial. A plane-wave basis
is used.

> And also how dense is it in interstitial and what is
> the rule of generating the mesh?

The number of plane waves used is determined by gmax.  This
is discussed at length in the userguide.

Read the user guide, and the references therein.