anaddb tetrahedron integration

eylvisaker · Post by **eylvisaker** » Wed Nov 02, 2011 11:23 pm

I'm trying to use tetrahedron integration in anaddb but when I set telphint 0 I get NaN for lambda values and Tc, and my Linewidths are all zeroes. If I use telphint 1 I don't see this problem.

This is my anaddb input file:

Code: Select all

elphflag 1
nqpath 8
qpath
 0         0         0
 0.94486   0         0
 1.54825   0.64317   0.64317
 0.94486   0.94486   0.94486
 1.54825   0.94486   0.34147
 1.24656   1.24656   0.34147
 0.94486   0.94486   0   
 0         0         0

mustar 0.136

ngqpt 4 4 4 
nqshft 1
q1shft 0 0 0 
ifcflag 1

asr 2
dipdip 0

symdynmat 0

dieflag 0
eivec 1