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[abinit-forum] Bug in cut3d


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  • From: Philip Murphy <philip.murphy@tyndall.ie>
  • To: forum@abinit.org
  • Subject: [abinit-forum] Bug in cut3d
  • Date: Wed, 14 Oct 2009 16:51:30 +0200 (CEST)

Dear abinit developers,

While trying to process a wavefunction file with the latest version of
abinit's
cut3d, I get the following message:

rwwf : BUG -
Reading option of rwwf. One should have npw=npw1
However, npw= 3097, and npw1=99133.
Action : contact ABINIT group.


There is nothing out of the ordinary in the way I generated the WF file: a
self
consistent calculation of a supercell with only kpt 0.0 0.0 0.0. I have tried
with and without time reversal symmetry, to no avail.

It seems an odd error, since I am not performing an RF calculation at all, and
npw1 shouldn't be of any consequence.

Please help.

Kind regards,
Philip Murphy



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