Contributing to Handbook

All Persson group members are encouraged to contribute to the handbook. Feel free to add pages and reorganize as needed, just use your best judgement. Use this link to edit the handbook and contact the Group Librarian if you need edit privileges.

Please keep in mind these guidelines for contribution:

  1. The handbook is a collaborative investment. You have knowledge that will help a group member, please share it! A thorough, up-to-date handbook benefits all of us.

  2. Contributions won't be perfect. Don't let perfect be the enemy of good! You are encouraged to add your knowledge to the handbook even if the format isn't highly polished.

  3. Private resources should link to Google Drive. If content belongs in the handbook but isn't appropriate for public release, put the document on the Persson Group Google Drive and include a link in the Handbook.

  4. Add work-in-progress to the table below. If you are working on something let everyone know in the Group Handbook Tasks table.

The table below catalogs the areas where the handbook needs improvement. Please add tasks as you see fit and add yourself as a volunteer if you can contribute.

Group Handbook Tasks


Update / split up computing guides, currently one very long page

Alex (for Savio)

Update application guide (Vasp)


Add application guide (Gaussian)

Add application guide (Qchem)

Add application guide (Lammps)

Add application guide (GROMACS)

Add useful LBL links page


List of members areas of expertise / who can answer questions (send email/slack to group to edit this page)


Migrate public content from internal site and google drive to handbook


Update instructions for VASP on Lawrencium

Matt McD.

Set up directions for NREL computing (Swift)


Set up directions for NREL computing (Eagle)

Update dissertation section


new leave policy given new GSI/GSR contract


conference travel section

Ruoxi (add point of contact for MSD)

page generally outlining the rights GSRs have under the contract


update Data back up


running jobs on Perlmutter


Mongodb, database management

update "getting started" and set up


"before you arrive", add that some students don't have a project for awhile.


high throughput routine for codes that use ASE calculators


getting a computer

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