Paolo, I'd like to use the force constants as input to a code I wrote that calculates the thermal boundary resistance of semiconductor interfaces. Right now, my code uses interatomic potentials to describe the atomic interactions and I'd like to get away from that.
Eric -----Original Message----- From: pw_forum-bounces at pwscf.org [mailto:[email protected]] On Behalf Of Paolo Giannozzi Sent: Monday, March 30, 2009 12:26 PM To: PWSCF Forum Subject: Re: [Pw_forum] interpretation of the file containing the real space force constants Eric Landry wrote: > I'm trying to understand the format of the file containing the real > space force constants output from the q2r.x program why? -- Paolo Giannozzi, Democritos and University of Udine, Italy _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum
