[Pw_forum] QE 4.0.5 pseudopotencials

[Lorenzo Paulatto]

On Tue, May 12, 2009 02:55, Karoly Nemeth wrote:
>        Unknown UPF format version: 2.0.1              .
>  Can I use the new PPs with the 4.1 series only?

In theory yes, but as the only difference is that fixed bug, you can just
open the UPF file with a notepad and change
 version="2.0.1"
to
 version="2.0.0"


>  Can I use the latest FFTW with the 4.1 series with q-e-scm-2009-05-10, or
>  should I continue using the older 2.1.5 series ?

Yes, you can use FFT 3.x as well as FFT included in ACML and ESSL libraries.

regards

-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/



----------------------------------------------------------------
  SISSA Webmail https://webmail.sissa.it/
  Powered by SquirrelMail http://www.squirrelmail.org/