[QE-users] QE for KGEC
Paolo Giannozzi
p.giannozzi at gmail.com
Thu Oct 31 10:18:24 CET 2019
You should inquire with KGEC developers. KGEC is a post-processing, so it
should work with all QE versions that produce the "old" data file format.
QE 6.3 requires "-D_OLDXML" to be added to MANUAL_FLAGS in make.inc, or to
run configure with option "--disable-xml". No warranty.
Paolo
On Thu, Oct 31, 2019 at 9:22 AM LEUNG Clarence <liangxy123 at hotmail.com>
wrote:
> Dear QE users,
>
> I noted that Quantum Espresso 5.1.2, 5.2.1, 5.4.0, 6.0 or 6.1 are
> supported KGEC code. IS the QE6.3 supported the KGEC code.
>
> Many thanks.
> Clarence
> City University of Hong Kong
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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