[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






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