Parallel Runscript with Parallel Jobs

Hello All, This probably should have been one of my first tutorial posts, but it is worth rehashing now. As many of you will be running on large many processor systems, tuning your runscript is hugely important for a couple reasons: Proper scaling of codes Proper use of Computational Resources Proper use of your time…

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Automatic Generation of Density of States Plot and Bandgap

Updated version can be found here: https://blog.levilentz.com/?p=274 If you would just like to download this code to calculate the bandgap from the DOS, simply download these two files: 1 2 and run the python script in your quantum espresso directory. Continue reading for a description of how it works. Hello All! The past two weeks…

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