Maybe you can check if different starting magnetizations converge into
one.
On Tue, 17 Jun 2014 02:02:41 +, "Kurth, Michael R."
wrote:
> Dear Juanjo,
>
> Thank you for the advice. We did try a DFT+U calculation only on the
> neodymium atoms, but it was also with the default number of bands.
Dear All,
I am new user of Quantum Espresso software and my research focus
concerns mainly thermal properties of materials (more particularly
silicon nanostructures).
I would like to know if it is possible to calculate "the lifetime due to
anharmonic phonon?phonon interaction" with
arbitrary w
://pwscf.org/pipermail/pw_forum/attachments/20140617/769788d2/attachment.html
Dear Arun Kumar
> /home/arun/quantum espresso /espresso-5.1/BLAS/blas.a
> gfortran: error: /home/arun/quantum: No such file or directory
> gfortran: error: espresso: No such file or directory
> gfortran: error: /espresso-5.1/lapack-3.2/lapack.a: No such file or
> directory
I once had the similar
NGINEERING SECTION
>> PHYSICAL METALLURGY GROUP
>> INDIRA GANDHI CENTRE FOR ATOMIC RESEARCH
>> DEPARTMENT OF ATOMIC ENERGY
>> KALPAKKAM, TAMILNADU
>> ___
>> Pw_forum mailing list
>> Pw_forum at pwscf.or
> http://pwscf.org/mailman/listinfo/pw_forum
>
--
Thanks and Regards
Bramha Prasad Pandey
GLA University
Mathura (U.P)
INDIA.
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Hi
You should use underscore between two names for a directory name like :
quantum_espresso not quantum espresso
Thanks
Manjusha
Department of Chemistry
Indian Institute of Technology,Kanpur
U.P., India 208016
> Dear Sir,
>
> I downloaded quantum espresso v 5.1 from your site
> 'http://qe-forg
Dear Sir,
I downloaded quantum espresso v 5.1 from your site
'http://qe-forge.org/gf/project/q-e/frs.."; including neb
,pwcond,espresso 5.1,pwgui .xspectra,tddfpt ,atomic ,GWW and phonon
directory in tar.gz file format and unpack the base distribution using
the command : tar zxvf espresso-5.1.tar
found in this message.
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