[Wien] Plane waves exhausted

[Michael Gurnett]

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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