[Wannier] Best Quantum Espresso version to use with Wannier

[Giovanni Pizzi]

Hi Derek,
just to avoid confusion: what I mean is that you don't need to modify/patch (recent versions of) QE but you can simply use it together with Wannier90 v1.2; the 'QE files' I was referring to are the input files.

Best!

Giovanni

--
Giovanni Pizzi
Post-doctoral Research Scientist
EPFL STI IMX THEOS
MXC 319 (Bâtiment MXC)
Station 12
CH-1015 Lausanne (Switzerland)
Phone: +41 21 69 31159



On 19 Sep 2012, at 6:49 PM, Giovanni Pizzi wrote:

Dear Derek,
Wannier90 is compatible with all recent versions of QE including 5.0 (and 5.0.1), and I would suggest that you use the most recent QE version (which may also fix bugs and have new features).

The QE files provided with wannier90 should work with the recent QE versions.
It may however happen that some input flags have been renamed in QE or moved from one namelist to another; should you encounter any problem, please post it on this list so that we can update the example files for the new wannier90 release.

Best,
Giovanni
--
Giovanni Pizzi
Post-doctoral Research Scientist
EPFL STI IMX THEOS
MXC 319 (Bâtiment MXC)
Station 12
CH-1015 Lausanne (Switzerland)
Phone: +41 21 69 31159



On 19 Sep 2012, at 6:07 PM, Derek Stewart wrote:

Hi everyone,

I have just finished install wannier90 (version 1.2) and I would like to
interface it with Quantum Espresso.  I noticed that the wannier files
for use with QE on the webpage are for versions 4.1.2 and 3.2.3.  Based
on this, I would assume that QE version 4.1.2 would be the best to use
with Wannier90.

I was wondering if anyone had developed files to work with the newer
versions of Quantum Espresso (i.e 4.3.2 or the new 5.0).

Thanks,

Derek

--
################################
Derek Stewart, Ph. D.
Senior Research Associate
http://sites.google.com/site/dft4nano/
250 Duffield Hall
Cornell Nanoscale Facility (CNF)
Ithaca, NY 14853
stewart (at) cnf.cornell.edu<http://cnf.cornell.edu>
(607) 255-2856



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