diff --git a/README.md b/README.md
index 5a0d59de890312307eddabbe3f8db21cb4ef168e..130a00d12b943cf5059f39c3e99bf42e504b9da9 100644
--- a/README.md
+++ b/README.md
@@ -13,7 +13,7 @@ in the same directory as files that also belong to that entry. Parsers
 might also read information from these auxillary files. This way you can add more files
 to an entry, even if the respective parser/code might not directly support it.
 
-For dmol3 please provide at least the files from this table if applicable to your
+For DMol3  please provide at least the files from this table if applicable to your
 calculations (remember that you can provide more files if you want):
 
 
@@ -49,12 +49,12 @@ import sys
 from nomad.cli.parse import parse, normalize_all
 
 # match and run the parser
-backend = parse(sys.argv[1])
+archive = parse(sys.argv[1])
 # run all normalizers
-normalize_all(backend)
+normalize_all(archive)
 
 # get the 'main section' section_run as a metainfo object
-section_run = backend.resource.contents[0].section_run[0]
+section_run = archive.section_run[0]
 
 # get the same data as JSON serializable Python dict
 python_dict = section_run.m_to_dict()
@@ -76,3 +76,5 @@ pip install -e parser-dmol3
 ```
 
 Running the parser now, will use the parser's Python code from the clone project.
+
+
diff --git a/metadata.yaml b/metadata.yaml
new file mode 100644
index 0000000000000000000000000000000000000000..726a018a3deac633c85249f4b4a0e258139419fc
--- /dev/null
+++ b/metadata.yaml
@@ -0,0 +1,7 @@
+codeLabel: 'DMol3 '
+codeLabelStyle: 'Capitals: D, M'
+codeUrl: http://dmol3.web.psi.ch/
+parserDirName: dependencies/parsers/dmol3/
+parserGitUrl: https://gitlab.mpcdf.mpg.de/nomad-lab/parser-dmol3
+parserSpecific: ''
+tableOfFiles: ''
diff --git a/metadata.yml b/metadata.yml
deleted file mode 100644
index 92bcfbcfdc7179caae300d49114a937d84a76059..0000000000000000000000000000000000000000
--- a/metadata.yml
+++ /dev/null
@@ -1,7 +0,0 @@
-code-label: 'DMol3 '
-code-label-style: 'Capitals: D, M'
-code-url: http://dmol3.web.psi.ch/
-parser-dir-name: dependencies/parsers/dmol3/
-parser-git-url: https://gitlab.mpcdf.mpg.de/nomad-lab/parser-dmol3
-parser-specific: ''
-table-of-files: ''