[Wien] Plane waves exhausted

[saeid jalali]

Plane wave exhausts or finishes when the number of local orbitals is more than the number of plane waves.
We know that in the APW+lo+LO local orbitals play a central rule as a conjugate basis of plane waves to linearize the old APW method compared to the last LAPW approach where linearization was performed in a different manner.
 
Thus if your case works well with the generated klist during initialization, we deduce that  your generated klist is wrong so that many of the plane waves are used and so some LO's remain with no plane wave to be attached.
 
Your,
Saeid.
Michael Gurnett <michael.gurnett at kau.se> wrote:
This would be strange since it works fine if I use the "built in" k-paths that Wien has.
 
 
----- Original Message ----- 
From: saeid jalali 
To: wien at zeus.theochem.tuwien.ac.at 
Sent: Monday, February 07, 2005 1:50 PM
Subject: Re: [Wien] Plane waves exhausted


The " 'LOPW' - Plane waves exhausted" error appears when either the Rmt*Kmax parameter is small or the structure file is not correct, e.g it contains one atom twice.


Michael Gurnett <michael.gurnett at kau.se> wrote:
I'm getting the following error when trying to run bandstructure


** Error in Parallel LAPW1
** LAPW1 STOPPED at Mon Feb 7 11:32:55 CET 2005
** check ERROR FILES!
'LOPW' - Plane waves exhausted
'LOPW' - Plane waves exhausted
'LOPW' - Plane waves exhausted
'LOPW' - Plane waves exhausted
'LOPW' - Plane waves exhausted
'LOPW' - Plane waves exhausted


I'm using Xcrysden to generate the k path. What is causing this and how do I 
fix it.

Thanks

Michael 


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