Search found 2 matches
- Tue Jul 10, 2012 7:57 pm
- Forum: Response calculations
- Topic: Crash when doing GKK preparation
- Replies: 1
- Views: 2793
Crash when doing GKK preparation
I'm running a parallel job using abinit 6.12.3 to calculate electron-phonon properties. The first perturbation ( Perturbation wavevector (in red.coord.) 0.000000 0.000000 0.000000 Perturbation : displacement of atom 1 along direction 1 ) runs fine and computes a 2DEtotal, but the next perturbation c...
- Wed Nov 02, 2011 11:23 pm
- Forum: Response calculations
- Topic: anaddb tetrahedron integration
- Replies: 0
- Views: 1637
anaddb tetrahedron integration
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: elphflag 1 nqpath 8 qpath 0 0 0 0.94486 0 0 1.54825 0.64317 0.64317 0.94486 ...