From e50433c1de9a27e8be53d0deebb469b0faa53ec6 Mon Sep 17 00:00:00 2001
From: Arvid Ihrig <ihrig@fhi-berlin.mpg.de>
Date: Tue, 24 Oct 2017 11:45:58 +0200
Subject: [PATCH] added allowed values for eigenvalues_kind
---
meta_info/nomad_meta_info/public.nomadmetainfo.json | 6 +++++-
1 file changed, 5 insertions(+), 1 deletion(-)
diff --git a/meta_info/nomad_meta_info/public.nomadmetainfo.json b/meta_info/nomad_meta_info/public.nomadmetainfo.json
index 35828d5..7a575b1 100644
--- a/meta_info/nomad_meta_info/public.nomadmetainfo.json
+++ b/meta_info/nomad_meta_info/public.nomadmetainfo.json
@@ -751,7 +751,11 @@
"shape": [],
"superNames": [
"section_eigenvalues"
- ]
+ ],
+ "values": {
+ "normal": "all eigenvalues of the Kohn Sham / Fock operator",
+ "partial": "partial eigenvalue spectrum, usually around the HOMO-LOMO. In this case, number_of_eigenvalues only refers to the number of stored eigenvalues, not the full spectrum."
+ }
}, {
"description": "Multiplicity of the $k$ point (i.e., how many distinct points per cell this expands to after applying all symmetries). This defaults to 1. If expansion is preformed then each point will have weight eigenvalues_kpoints_weights/eigenvalues_kpoints_multiplicity.",
"dtypeStr": "f",
--
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