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2 votes

Phonon calculations related problems

Replying to your comment above: of course you have to converge wrt. q-points! To answer your original question, of course you can calculate at Gamma only with DFPT as long as you only care about ...
Tyler Sterling's user avatar
4 votes

wannier90 compilation error (MPI)

This problem is per see, not a bug in the code. The problem is that fortran does not, implicitly, enforce data-type similarity between arguments (much like C). However, this is not standard compliant (...
nickpapior's user avatar
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