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- Sat Aug 06, 2011 6:48 pm
- Forum: Other tools and postprocessing in ABINIT
- Topic: Breaking of acoustic-sum rule and ANADDB
- Replies: 0
- Views: 2688
Breaking of acoustic-sum rule and ANADDB
Dear colleagues, I calculated phonon spectra of some fcc crystals using response functions implemented in Abinit code. I took the frequencies directly from the output file. The obtained dispersion curves for ground states (the structures were fully relaxed) of some elements (e.g. Cu - see the attach...