Dear WIEN2k users:
Recently I'm calculating the f-electron material under pressure with
LDA+U. There are different results between with normal structure file and with
supercell structure file. The result of normal structure file with symmetry
under pressure is metal. But the supercell
Dear Shi Kong,
We have very few data to answer properly to your question. What are the
available experimental data and more specifically:
1/ Do you have the atomic structure (cell param. and atomic positions)
for different pressures or only cell parameters variation with pressure?
2/ In the "norma
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