Output error with variable spin and Methfessel-Paxton smearing #336
Labels
area: main-source
Relating to the src/ directory (main Conquest source code)
improves: stability
Fix or enhance issues with stability or robustness
priority: minor
time: hours
type: bug
When the spin is not fixed (
Spin.FixSpin F
) then duringfindFermi_varspin
inDiagModule.f90
when using Methfessel-Paxton smearing, a warning message can be written if the number of electrons is more than 10 electrons away from the target which uses the wrong format statement.CONQUEST-release/src/DiagModule.f90
Lines 2726 to 2731 in 6bf8f4a
This should be easy to fix: it gives an alarming message (e.g.
Fermi level is 1547.66031
and thenFermi level is 10.00000
where it is indicating the number of electrons and parameterDiag.NElecLess
not the Fermi level!)The text was updated successfully, but these errors were encountered: