On 20/10/2022 14:03, Pavel Ondračka wrote:
is it possible to somehow output the wavefunctions in the old wfc.dat format when QE is compiled with hdf5 support or do I have to recompile?
the old "collected" format (one file per k-point), you mean, or the old "distributed" format (one file per processor)? You can always get the latter by using the $prefix.EXIT file to stop the calculation, but you have to stop it at the good point!
Paolo
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