A step by step example to run a simple structure in vasp with FIreworks & Custodian

[jan...@umich.edu]

Hello,

The pymatgen website gives me a very nice example of how to create a simple structure and write out the POSCAR (http://pymatgen.org/_static/Basic%20functionality.html). However, unfortunately I have trouble  creating the other relevant files (POTCAR, KPOINTS, INCAR)  using fireworks & custodian in the same python code, since I could not come across any simple step-by-step example that would help me get started.

Can someone help me by sending putting some source code here of how it should be done?

Thank you,

Best Regards
Ram Balachandran

[Anubhav Jain]

Hi,

Can you please post to the Materials Project list?

https://groups.google.com/forum/#!forum/matproj-develop

This list is restricted to discussions about the FWS software as a general workflow tool, whereas the MP list is more about running VASP, etc. using MP codebases.

Best,

Anubhav

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