Thank you a lot for your help :)!
Kind Regards,
Nevensky
From: Paolo Giannozzi
Reply: Quantum ESPRESSO users Forum
Date: 6 October 2020 at 22:35:39
To: Quantum ESPRESSO users Forum
Subject: Re: [QE-users] gvectors.dat gone in QE 6.0 and beyond, how to
extract it?
G-vectors are written to
G-vectors are written to (but not read from) file "charge-density.dat"
(default) or "charge-density.hdf5" (if HDF5 is enabled), together with the
charge density. Note that it's not G-vectors that are written but Miller
indices: G=i*b1+j*b2+k*b3, with b1,b2,b3 primitive reciprocal lattice
vectors. S
Since the new format in QE, I am unable to find out where G vectors are
written, they used to be in the gvectors.dat file, however I cant find them
anywhere now. How can they be read in the new format?
Help would be greatly appreciated.
Kind Regards,
Nevensky,
—
Lijepi pozdrav,
Neven Golenić
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