Hello
I am having trouble running phonon calculations with metallic compounds and I went back to the tutorial and tried running AlAs as a metal (occopt 3) and ended up with huge differences in the DFPT calculations.
Am I missing something obvious? I am using the standard pseudopotentials from the abinit tutorial and all I changed was the occupation scheme between the two runs.
Thank You
AlAsOccopt3.in (725 Bytes)
AlAsOccopt1.out (55.8 KB)
AlAsOccopt3.out (67.3 KB)
AlAsOccopt1.in (727 Bytes)