Dear staff of the Materials Project, first, let me thank you for this wonderful project ! I follow it since some years and it is simply great. I am a beginner, so I have two very simple (and maybe) naive questions:
If I upload a new structure via the crystal toolkit, can I then calculate for such structure the band structure, the DOS, the XRD pattern and the X-ray absorption ? If yes, how ?
I have submitted two structures, montmorillonite (submitted quite long time ago) and deuterated ice, and both appear in my dashboard as submitted (if I click on “details” next to their formula, I get “URL not found”). But It is not clear to me how I can start some calculations on them.
I find the nanoporous materials explorer very interesting, I am particularly interested in methane adsorption by zeolites. If I upload the structure of a new zeolite, is it possible to calculate the methane adsorption properties ?
I am sure I am missing many things in the way I should proceed, so any help is very welcome !
Thank you very much for your attention