Insert vasprun.xml with VaspToDb Task

Hello everyone!
I’m new here and maybe my question can seem to be stupid, sorry for that in advance.

I have successfully installed the atomate framework and now am trying to insert all my vasprun.xml files into atomate database for later analysis. So, the task is following:
Input: directory with many subdirs with different vasprun.xml files and corresponding POSCAR/CONTCAR/etc.
Task: insert all data from each vasprun.xml in the directory into atomate database(mongodb as i understood).

What is the best practice for that?

I found VaspToDb task, but it seems to work false or I have used that incorrectly.
So, my code(where paths contains all directorises with vasprun.xml files):

launchpad = LaunchPad.auto_load()
launchpad.reset(’’, require_password=False)

tasks = []
for path in paths:
task = VaspToDb(calc_dir=path)

fw = Firework(tasks)
wf = Workflow([fw], name=“test workflow”)

Then extract data fro database:
atomate_db = VaspCalcDb.from_db_file(PATH_TO_MY_DB_JSON)

But I cannot observe any inserted data.

Could you help me or give any hints?

Thank you in advance!
Best regards,


When you create the VaspToDb task, do you specify the db_file parameter? This is needed so that the VaspToDb task can actually insert the task into the database. Otherwise it simply writes a JSON file to the directory containing the data, without actually inserting anything in the DB