[Wien] PHON or Phonon software

Angelica angelica.strutz at gmail.com
Sat Aug 13 17:44:24 CEST 2005


Dear Georg,

I had some problem to compile the PHON program which now seems to be solved.

I have some other questions about the PHON software:
a) What is the maximal number of atoms that can be used for calculations
with Phonon software?
b) Can we use the Phonon software to study the properties of ternary
compound which includes U element? 

Kind regards,
Angelica

-----Original Message-----
From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of
georg at chem.au.dk
Sent: Saturday, August 13, 2005 5:58 PM
To: A Mailing list for WIEN2k users
Subject: RE: [Wien] PHON or Phonon software

Dear Angelica

 I've used WIEN with the PHON program and like it a lot. It doesn't
calculate as
many properties as the Parlinski program, but it's a simple program so it's
easy to put them in yourself.  
I have some usefull scripts for using it (similar to the set-up scripts for
PHONON in WIEN)
http://www.chem.au.dk/~webuorg/new/groups/gm/gm.html

I like that PHON is free, you get the source code and it runs under Unix

  Best wishes
     Georg


Citat Angelica <angelica.strutz at gmail.com>:

> >This problem with : undefined reference to `__ctype_b' 
> 
> >seems very similar to the problem mentioned on the Wien2k Faq page about
> installing Wien using newer version of linux with ifc 7
> 
>  
> 
> >Michael
> 
>  
> 
> Michael thank you, the explanations in FAQ helped me to solve the problem.
> 
> Stefaan, thank you for the information.
> 
>  
> 
> Angelica
> 
>  
> 
> 


-- 
Georg Madsen
Department of Chemistry
Aarhus University
DK-8000 Århus C
Denmark
tlf (+45) 89423885
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