[Q-e-developers] phonon dispersion with experimental structure

ding dingmingcui at qq.com
Mon Apr 15 09:06:49 CEST 2013


Hi everyone,
 Does one have to relax the structure before doing phonon calculations?  If I calculate the phonon dispersion of a material with the experimental structure at different pressures, Can I get get the phonon dispersion without negtive frequencies ?
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