[Pw_forum] cpmd2upf conversion
Jonathan Breeze
breezejd at lsbu.ac.uk
Thu Jan 29 13:45:04 CET 2004
Dear Paolo,
I have just compiled and run D3 for the CVS version of PWscf and am
pleased to say that it works. I got number that agreed fairly well with
each other, considering that I used different pseudopotentials. I am
very pleased now :)
Kind regards,
Jonathan Breeze
Paolo Giannozzi wrote:
>About your second question: I have been told that somebody is working
>on D3 right now. If you have successfully used a previous version, you
>can easily verify if the new version is working: the input data of D3.x and
>of the phonon code is little changed from previous versions.
>
>Paolo
>
>
>
--
Jonathan Breeze
Research Fellow
Centre for Physical Electronics and Materials
London South Bank University
103 Borough Road
London
SE1 0AA
Tel: +44(0)20 7815 7582
Fax: +44(0)20 7815 7599
More information about the Pw_forum
mailing list