[Q-e-developers] GIPAW and QE compilation

Davide Ceresoli davide.ceresoli at istm.cnr.it
Thu Oct 22 15:34:54 CEST 2015


Dear Franciso, Paolo,
     I've just made changes to GIPAW to make it compatible
with the current SVN version of QE (5.2.1). One must
get both QE and GIPAW from the SVN.

Best wishes,
     Davide



On 10/22/2015 08:18 AM, Paolo Giannozzi wrote:
> Dear Francisco
>
> I don't know much about the current status of GIPAW. I am forwarding your query
> to the q-e-developers mailing list. Best regards
>
> Paolo
>
> On Thu, Oct 22, 2015 at 1:33 AM, Francisco Martinez <fmartinm at mit.edu
> <mailto:fmartinm at mit.edu>> wrote:
>
>     Dear Prof. Giannozzi,
>
>     I am a postdoctoral researcher at MIT in the research group of Prof. Markus
>     Buehler. I work on DFT and I am trying to run GIPAW for NMR calculations. I
>     have been attempting to compile GIPAW 5.1 with QE 5.0.2. I tried first QE
>     5.2.1 but it looks that GIPAW is for an older version. I also tried to
>     compile with the 10590 version of QE 5.2.1. None of these work.
>
>     Because you are one of the developers of the code, could you please give me
>     some advice about how to proceed? What are the correct version and where to
>     download them?
>
>     Thank you very much in advance
>
>     Francisco
>
>
>
>     --
>     Dr. Francisco Martin-Martinez
>     Laboratory for Atomistic & Molecular Mechanics
>     Department of Civil and Environmental Engineering
>     Massachusetts Institute of Technology
>     Cambridge, MA 02139-4307, USA
>     Room 1-174 | Phone: +1 617 258 8070 <tel:%2B1%20617%20258%208070> | Mobile:
>     +1 857 500 9201 <tel:%2B1%20857%20500%209201>
>     URL: http://web.mit.edu/fmartinm/www/
>     e-mail: fmartinm at mit.edu <mailto:fmartinm at mit.edu>
>
>
>
>
> --
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216 <tel:%2B39-0432-558216>, fax +39-0432-558222
> <tel:%2B39-0432-558222>
>
>
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