[Pw_forum] warning in q2r.x
Subhradip Ghosh
subhra at iitg.ernet.in
Mon Apr 21 04:01:44 CEST 2008
I am doing phonon calculations on a L10 structure. The output of q2r.x
produces the following warning:
"fft-check warning: sum of imaginary terms = .2454409E-06"
How serious is this warning and what could be the consequences? Also, what
could be the possible reasons?
Regards,
Subhradip
************************************************************************
Dr. Subhradip Ghosh
Assistant Professor
Department of Physics
Indian Institute of Technology
Guwahati,Assam-781039
India
E-mail:subhra at iitg.ernet.in
Phone: +91 361 2582717(O)
+91 361 2584717(R)
Fax: +91 361 2582749 (Physics)
+91 361 2690762 (General)
************************************************************************
More information about the Pw_forum
mailing list