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- Mon May 23, 2011 11:38 pm
- Forum: Ground state
- Topic: Optimization of EuTiO3
- Replies: 0
- Views: 1717
Optimization of EuTiO3
Hi All, I'm trying to optimize cell parameter of EuTiO3. However, I faced with strange Abinit system behaviour. I started from experimental value of cubic cell parameter a=3.9050 A=7.3818 Bohr. The system was asked to perform an optimization using next input parameters: -----------------------------...