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quantum-espresso
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quantum-espresso
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HP
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Iurii Timrov
f2c46bc9b6
Bugfix in HP: kunit must be reset to 1 in the loop over atoms
...
that must be perturbed. This bug appears usually when a shifted k point mesh is used.
2020-07-21 17:14:14 +02:00
..
Doc
*.pdf, html, txt files updated
2020-07-17 10:44:05 +02:00
examples
1. Extension of the HP code to compute also inter-site V (DFT+U+V case)
2020-04-17 11:01:51 +00:00
src
Bugfix in HP: kunit must be reset to 1 in the loop over atoms
2020-07-21 17:14:14 +02:00
Makefile
Implementation of the new code hp.x to compute Hubbard U from DFPT.
2018-08-29 14:54:42 +02:00