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Message #00026
[Bug 1346978] Re: Find a way to distinguish exchange from correlation in Abinit pspxc code
Since Abinit is just performing basic consistency checks for XC when
reading a pseudopotential, a convention should be enforced at the level
of the pseudopotential generators. Since the only generator currently
using LibXC codes is APE, we will follow its convention:
- ( exchange + 1000 * correlation )
This will be propagated to Abinit as well and included in the format
specifications.
** Changed in: libpspio
Status: New => Opinion
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https://bugs.launchpad.net/bugs/1346978
Title:
Find a way to distinguish exchange from correlation in Abinit pspxc
code
Status in Libpspio pseudopotential I/O library:
Opinion
Bug description:
In the pspxc code used by Abinit for Libxc functionals there is no
simple way to distinguish exchange from correlation, as the order in
which they are specified is not fixed.
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