Skip to content
Snippets Groups Projects

Fix OEP full - spin polarized case

Merged Nicolas Tancogne-Dejean requested to merge fix_oep_polarized into hotfix-12.2
1 file
+ 1
1
Compare changes
  • Side-by-side
  • Inline
@@ -53,7 +53,7 @@ Processors: 1
Input: 07-spin_orbit_coupling.01-hgh-elpa.inp
if(available scalapack); then
if(available ELPA); then
Precision: 1e-8
Precision: 1e-5
match ; SCF convergence ; GREPCOUNT(static/info, 'SCF converged') ; 1
match ; Eigenvalue 1 ; GREPFIELD(static/info, ' 1 --', 3) ; -27.437676
match ; Eigenvalue 3 ; GREPFIELD(static/info, ' 3 --', 3) ; -26.544792
Loading