SOF-7344: add method path for collinear magnetization

Exabyte-io · May 17, 2024 · d32d34c · d32d34c
1 parent d27cf4a
commit d32d34c
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Showing 2 changed files with 5 additions and 1 deletion.
diff --git a/models/espresso/5.2.1.yml b/models/espresso/5.2.1.yml
@@ -5,6 +5,10 @@ Default:
       - path: /pb/qm/dft/ksdft/lda?functional=pz
       - path: /pb/qm/dft/ksdft/gga?functional=pbe
       - path: /pb/qm/dft/ksdft/gga?functional=pbesol
+    pw_scf_magn:
+      - path: /pb/qm/dft/ksdft/lda?functional=pz&spinPolarization=collinear
+      - path: /pb/qm/dft/ksdft/gga?functional=pbe&spinPolarization=collinear
+      - path: /pb/qm/dft/ksdft/gga?functional=pbesol&spinPolarization=collinear
     pw_scf_bands_hse:
       - path: /pb/qm/dft/ksdft/hybrid?functional=hse06
     pw_esm: