[Pw_forum] ACOUSTIC SUM RULES
mayank gupta
mayankaditya at gmail.com
Mon Jul 4 08:07:23 CEST 2011
Dear Users
Real space force constant calculations (q2r.x) and calculation of
phonon frequencies (matdyn.x), we have to select acoustic sum rule
(ASR). there are various type of sum rule,which sum rule should be
use (ACOUSTIC/CRYSTAL) and in q2r.x and matdyn.x calculations the ASR
should be same or they can be different.
--
Mayank
BHABHA ATOMIC RESEARCH CENTER
MUMBAI, INDIA
Office: 022-25595606
Home: 9920397437 / 9869834437
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