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- Tue Jun 11, 2013 2:29 pm
- Forum: Link to other codes
- Topic: about Ho and Eu PAW
- Replies: 1
- Views: 2800
about Ho and Eu PAW
Dear colleges, I am trying to calculate the lattice parameters of a europium and holmium oxide mixture. However, it has been difficult to optimize the structures using the europium and holmium pseudopotentials. I read that using GGA and the PAW of these elements this task could be easy; however, tes...