>> I looked in the PW_forum and found two threads, but they had no solutions: >> http://www.democritos.it/pipermail/pw_forum/2008-November/010604.html >> http://www.democritos.it/pipermail/pw_forum/2011-March/019851.html > but there is a hint: > "try to increase the VERY VERY SAFE RANGE to 3 times nr1,nr2,nr3" > (search for it in file matdyn.f90) I already found this line before, but I found it somehow strange to "exclude" the weight test. I thought the weight should be correct, when calculating the frequencies. >> Can someone give me a hint how to calculate my phonon >> frequencies with acoustic sum rule? > just heard a suggestion: since you have just one phonon > wave-vector, you can use dynmat.x instead of q2r.x+matdyn.x > I tried dynmat.x and it worked, thank you very much.
Best regards, Thomas -- Thomas Gruber Institut f?r Theoretische Physik TU Bergakademie Freiberg Leipziger Str. 23, 09599 Freiberg, Germany Tel: +49 (0)3731 392006 Email: thomas.gruber at physik.tu-freiberg.de
