Skip to Content.
Sympa Menu

forum - mkdenpos

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

mkdenpos


Chronological Thread 
  • From: bruno.siberchicot@cea.fr
  • To: forum@abinit.org
  • Subject: mkdenpos
  • Date: Fri, 28 Oct 2005 11:16:28 +0200

Dear ABINIT'users,

I'm trying to perform calculations on a big 46 atoms oxyde. I obtain the
following warning at each electronic steps. Has anybody got a solution? Is it
a question of a too low cut-off energy?
Yours
Bruno Siberchicot

mkdenpos : WARNING -
Density went < 0 at 317790 points
and was set to 1.00E-14. Lowest was -0.16E+00.
Likely due to too low boxcut or too low ecut for pseudopotential core
charge.



Archive powered by MHonArc 2.6.16.

Top of Page