Performance for large unit cells

In the present version the standard settings are not yet optimized for large unit cells. Band usually errs on the conservative side. Here are some tips on how to get a much better performance. To be sure of the correctness of the tips, you should perform some tests.

tails
reciprocal space
Madelung summations: especially in bulk systems
reduced basis set
Frozen core for 5d elements
Memory usage

 

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