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- Tue Jun 23, 2015 6:20 pm
- Forum: Link to other codes
- Topic: Weird behaviour of Ti pseudo with core correction
- Replies: 0
- Views: 3033
Weird behaviour of Ti pseudo with core correction
Hi Abinit Users, I'm trying to generate a pseudopotetnial for Ti with FHI code. In particular I'm focusing on LDA (Perdew-Wang 92) norm-conserving Troullier-Martins pseudos. I would like to have as valence configuration: 3d24s2. I'm testing my pseudos simulating bulk Ti-hcp. I noticed that when the ...