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Message #00052
[Bug 1348721] Re: abinit_write_header writes a wrong charge when NLCC is present
** Changed in: libpspio
Importance: Undecided => Medium
** Changed in: libpspio
Status: New => Triaged
** Changed in: libpspio
Milestone: None => 0.2.0
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https://bugs.launchpad.net/bugs/1348721
Title:
abinit_write_header writes a wrong charge when NLCC is present
Status in Libpspio pseudopotential I/O library:
Triaged
Bug description:
The abinit_write_header routine of abinit_util.c writes zero charges
and control sums when the pseudopotential has non-linear core
correction (NLCC). How hard would it be to provide relevant values?
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References