[Pw_forum] phonon

[Giovanni Cantele]

zahra sadat naghavi wrote:
> what should i do if i want to calculat phonon frequencies at gama 
> point for a metal?
perhaps it could be helpful starting browsing the code documentation and 
examples:

http://www.quantum-espresso.org/wiki/index.php/Using_PWscf#Phonon_calculations

espresso-3.2/examples/example02

example 02 shows you "how to use pw.x and ph.x to calculate phonon
frequencies at Gamma and X for Si and C in the diamond structure and
for fcc-Ni."


Giovanni

-- 



Dr. Giovanni Cantele
Coherentia CNR-INFM and Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario di Monte S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
Phone: +39 081 676910
Fax:   +39 081 676346
E-mail: Giovanni.Cantele at na.infn.it
Web: http://people.na.infn.it/~cantele