[QE-users] Need real space Kohn-Sham orbitals

Manoar Hossain manoarphy at niser.ac.in
Wed Sep 26 18:18:45 CEST 2018


Dear experts,

I need Kohn-Sham orbitals in real space (*basically real space wave
functions for (HOMO-5) to (LUMO+5)*) for my calculations. Please help me
out in this regard.

I have used *wfck2r.x* but the output *prefix.wfc_r1* is not readable. How
to convert the *prefix.wfc_r1 *file to a readable and plot-able file.

Your help will be appreciated. Thanks in advanced.



Regards,
-- 
Manoar Hossain
Research Scholar
School of Physical Sciences
National Institute of Science Education and Research (NISER)
Bhubaneswar, Jatni, Khurda, Odisha, 752050, INDIA
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