abinit_write_header writes a wrong charge when NLCC is present
Bug #1348721 reported by
Yann Pouillon
This bug affects 1 person
| Affects | Status | Importance | Assigned to | Milestone | |
|---|---|---|---|---|---|
| Libpspio |
Triaged
|
Medium
|
Unassigned | ||
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?
| Changed in libpspio: | |
| importance: | Undecided → Medium |
| status: | New → Triaged |
| milestone: | none → 0.2.0 |
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