From ffd74fb7b562c2fcca84fa070c47b916072d7ef8 Mon Sep 17 00:00:00 2001
From: Fawzi Mohamed <fawzi.mohamed@fhi-berlin.mpg.de>
Date: Sat, 6 Oct 2018 05:34:38 +0200
Subject: [PATCH] fix dos_values

---
 parser/parser-fhi-aims/fhiaimsparser/FhiAimsDosParser.py | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/parser/parser-fhi-aims/fhiaimsparser/FhiAimsDosParser.py b/parser/parser-fhi-aims/fhiaimsparser/FhiAimsDosParser.py
index 707186d..824f69e 100644
--- a/parser/parser-fhi-aims/fhiaimsparser/FhiAimsDosParser.py
+++ b/parser/parser-fhi-aims/fhiaimsparser/FhiAimsDosParser.py
@@ -91,8 +91,9 @@ class FhiAimsDosParserContext(object):
             # NOMAD units are 1/(J*cell)
             #   convert to 1/J
             self.dos_values = convert_unit(self.dos_values, '1/eV', '1/J')
-            #   convert to 1/cell
-            self.dos_values *= self.unit_cell_volume
+            #  do not convert to 1/cell, as dos_values is also supposed to be over the whole
+            #  cell, the notation in FHI-aims tutorial is a bit misleading
+            #self.dos_values *= self.unit_cell_volume
         # write metadata only if values were found for both quantities
         if self.writeMetaData:
             if dos_energies is not None and dos_values:
-- 
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