Releases: rappegroup/opium
Releases · rappegroup/opium
Opium v4.1.0
Changelog: 4.0 -> 4.1
04/10/18
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Add designed non-local transformation to PBE0 pseudopotentials generation
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Fix bugs for some convergence problems
Opium v4.0.0
Changelog: 3.8 -> 4.0
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PBE0 density functional pseudopotentials can now be constructed, but only
for non-relativistic atoms. -
Documentation is updated, including the undocumented computational flags
usage -
HF pseudopotentials are available for Quantum ESPRESSO use.
Opium v3.8.0
Changelog: 3.7 -> 3.8
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Restored the PCC version number for the recpot output.
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Added PCC for the QE upf output.
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Cleaned up a lot of the printing errors for the gfortran version.