[QE-users] Wavefunction format

[Paolo Giannozzi]

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


> Best regards
> Pavel Ondračka
> Masaryk University
> 
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216