Merge branch 'develop' of https://github.com/JuDFTteam/masci-tools in…

…to develop

masci_tools/io/kkr_params.py

@@ -33,8 +33,8 @@
 }
 
 # prevent kkrparams to add brackets around these keywords automatically
-# case insensitive (converted to lower case)
-__forbid_brackets__ = ['use_input_alat']
+# case insensitive (converted to upper case)
+__forbid_brackets__ = ['USE_INPUT_ALAT']
 
 
 class kkrparams:
@@ -1219,6 +1219,9 @@ def _create_keywords_dict(self, **kwargs):
  # workaround to fix inconsistency of XC input between host and impurity code
  if self.__params_type == 'kkrimp' and key2 == 'XC':
  kwargs[key] = self.change_XC_val_kkrimp(val)
+ # enforce upper case for key2
+ key2 = key2.upper()
+
  default_keywords[key2][0] = val
 
  return default_keywords
@@ -2100,7 +2103,7 @@ def _add_brackets_to_key(self, key, key_dict):
  return key
 
  key2 = key
- if key not in key_dict and key.lower() not in __forbid_brackets__:
+ if key.upper() not in key_dict and key.upper() not in __forbid_brackets__:
  key2 = '<' + key + '>'
 
  return key2