[QE-users] Reading wrong k-point list when using projwfc.x

Adriel Dominguez adrieldg at gmail.com
Tue Jul 23 12:11:20 CEST 2019


Dear all,

I am using the tool projwfc.x to obtain the k-resolved DOS for a system. I first performed a scf calculation and then divided the nscf calculation in two calculations as I am dealing with 44 k-points for a large system; the first nscf calculation for the first 28 k-points and the second for the remaining 16 k-points. They are in separated directories. However, when running projwfc individually for each nscf calculation, it always returns the DOS for the last 16 points (also for the 28 k-point calculation). It is like it is always reading the k-point list for the last nscf calculation performed, although in the .save directory there are only the wave functions for the first 28 k-points. 
Where does projwfc.x read the k-point list from? 

I am using QE 6.1 

Than you in advance for your help!

Adriel Dominguez
University of Basque Country
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