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- Fri Jan 05, 2018 9:35 am
- Forum: Response calculations
- Topic: Strange divergence in phonon calculation
- Replies: 15
- Views: 21515
Strange divergence in phonon calculation
Hi all: I'm calculating phonon dispersion of a layered magnetic compound MnPS3, in monolayer configuration with abinit-8.6.3. The compound should be with a monolayer graphene-like structure and Mn ions should be in anti-ferromagnetic state. I followed the example inputs trf1_5.in , used PAW method a...