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*Best regards,*
*Dr. Dmitry Novoselov Institute for Metal Physics,*
*Yekaterinburg, Russia*
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Dear Dmitry,
I am sure there is nothing puzzling in there. When lda_plus_u is true, but
all Hubbard_U?s are zero, the Hubbard component of the forces are still
computed and added to the total force, but such component will be zero (try
verbosity=?high? to get them printed on output). In th
Hi again,
I apologize to bother forum users with this issue again. Has anybody had this
particular problem? I just want to have workable gipaw to calculate EPR...
BR, Jarkko
On 13 Aug 2014, at 14:14, Jarkko V?h?kangas
wrote:
> Hello QE and GIPAW developers,
>
> I get following error messa
Thank you very much! You really help me a lot. It worked for me.
Best wishes!
On Mon, 04 Aug 2014 09:07:58 +0200, Lorenzo Paulatto
wrote:
> You would need to modify the code in a bunch of places, as currently
> only 3 letters in total are allowed for the species name. I recommend
> you just
Dear QE user
In projected density of states separated for each k-points and over each k
index the sumpdos.x get error
" wrong fmf in the first line of..."
in sumpdos.f90
"IF ( trim(str1) == 'ldos(E)' ) THEN
nspin = 1
ELSEIF ( trim(str1) == 'ldosup(E)' .and. trim(str2) == 'ldosdw
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