[Pw_forum] UPF PAW with Atompaw

hichem bouderba hicpalm at gmail.com
Thu May 12 14:55:54 CEST 2011


Hi lorenzo,
I am using QE 4.3 and Atompaw both with openmpi and ifort 2011.
I will try with QE 4.2.
thank you lorenzo.
regards

On Thu, May 12, 2011 at 3:13 PM, Lorenzo Paulatto <
Lorenzo.Paulatto at impmc.upmc.fr> wrote:

> On Thu, 12 May 2011 13:47:38 +0200, hichem bouderba <hicpalm at gmail.com>
> wrote:
> > I have a PAW generated with Atompaw and when used with pw.x the code
> > stops
> > at : [...]
>
>
> Dear Hichem,
> they both work perfectly here with Quantum-ESPRESSO ~4.2 compiled with G95
> 4.0.3 and atompaw compiled with gfortan 4.1.2.
>
> best regards
>
>
> --
> Lorenzo Paulatto IdR @ IMPMC/UPMC CNRS & Université Paris 6
> phone: +33 (0)1 44275 084 / skype: paulatz
> www:   http://www-int.impmc.upmc.fr/~paulatto/
> mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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