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- 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
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