[Pw_forum] doing QHA calculations

Tuhina Kelkar tr.kelkar at ncl.res.in
Fri Aug 18 11:21:32 CEST 2006


Hi everyone!
First of all thanks to all those who gave me their inputs on phonon dispersion calculations. I am having another problem now. 
After calculating the Phonon DOS for MgH2 at different alat values when I run fqha.x I get the following message everytime "wrong grid" and the program stops. What does it mean by wrong grid and how do I correct this error?
Please reply asap. Thanks in advance.
Tuhina
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Tuhina Kelkar
Junior Research Fellow
Physical Chemistry Division,
National Chemical Laboratory,
Pune - 411 008
INDIA
Contact: 020-25902298
alternative email: tuhina at gmail.com
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