[Pw_forum] phonon at q=0

[mayank gupta]

Dear All
I have a query ragrdin phonon calculations at q=0. When I performed
the phonon caclualtion at q=0, we didn't get zero enrgy for acoustic
branches, however they can be set to zero by using acoustic/ crystal
sum rules. My question is if the zone center acoustic braches values
are too large (4 THz) even we have implemented very high convergence,
it is ok to apply ASR.

Thanks

-- 
Mayank

BHABHA ATOMIC RESEARCH CENTER
MUMBAI, INDIA
Office:  022-25595606
Home: 9920397437 / 9869834437