[Pw_forum] Fwd: generating PDOS is missing for some atoms
hadi.arefi at tyndall.ie
Mon Jul 28 19:46:35 CEST 2014
Not possible to help you before you attach your input files.
From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On Behalf Of Tonatiuh Rangel Gordillo
Sent: 28 July 2014 18:06
To: pw_forum at pwscf.org
Subject: [Pw_forum] Fwd: generating PDOS is missing for some atoms
I am using projwfc.x to generate the PDOS on all atoms of my system.
At the end, the program ends up without any error or warning, but I find only files with the PDOS on only one kind of atom.
I have three kinds of atoms, Mn, V and O.
In the standard output, I can see that only the pseudopotential of Oxygen is read. That is, the following kind of lines appear but only for oxygen:
Atomic states used for projection
(read from pseudopotential files):
state # 1: atom 1 (O ), wfc 1 (l=0)... etc..
So, I am not sure why other pseudos are not read (or they are not reported).
At the very end, Lodwin charges equal to zero are reported for non-Oxygen atoms.
It does not seems normal to me that I only get the PDOS on one kind of atoms..
Is this a known issue?
How can I get the PDOS on all atoms of my system?
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