Skip to Content.
Sympa Menu

forum - PDOS

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

PDOS


Chronological Thread 
  • From: Orlin Blajiev <blajiev@vub.ac.be>
  • To: forum@abinit.org
  • Subject: PDOS
  • Date: Wed, 30 Jun 2004 18:02:22 -0400
  • Organization: Vrije Universiteit Brussel

Hi,

I was trying to calculate the PDOS with iscf -3 printdos 3 and kptrlatt (4 kpoints). Something is doing on, DOS file is printed, but in the standart output there is a line saying with both mkmem 0 and 1

Error: partial_dos_fractions needs all kpoints in memory
mkmem, nkpt = 0 4
opened file :
cu2oo_DOS_AT0001

Error: partial_dos_fractions needs all kpoints in memory
mkmem, nkpt = 0 4
opened file :
cu2oo_DOS_AT0001

I will appreciate some help.

Orlin Blajiev

--
Orlin Blajiev
Department of Metallurgy, Electrochemistry and Materials Science
Faculty of Applied Science Vrije Universiteit Brussel
Pleinlaan 2, B-1050 Brussels
Belgium
http://wwwtw.vub.ac.be/meta/

tel.: 32-(0)2-6293538
fax : 32-(0)2-6293200


  • PDOS, Orlin Blajiev, 06/30/2004

Archive powered by MHonArc 2.6.16.

Top of Page