[Pw_forum] force constant output

Mikiyas Tsegaye mastermik at gmail.com
Tue Jul 7 09:41:34 CEST 2009


hello all,

I have performed a phonon calculation and have the output file  
"prefix.fc" which I understand is the file containing the real-space  
force constants F(r). Its a long list of numbers - Is there any guide  
for how to interpret the formatting of this file, so I know exactly  
what these numbers represent?

- Mikiyas Tsegaye
University of Virginia
Dept of Electrical and Computer Engineering
Charlottesville, VA, USA


More information about the Pw_forum mailing list