Dear users,
I've been trying to create a fatband plot of my material following the tutorial
shown here: k-resolved DOS * Quantum Espresso Tutorial
(pranabdas.github.io)<https://pranabdas.github.io/espresso/hands-on/kpdos>
Using the suggested input for projwfc.in and executing projwfc.x I get the
following namelist error:
"
Error in routine do_projwfc (1):
reading projwfc namelist
"
my input file looks as follows:
&PROJWFC
outdir = '.'
prefix = '0p_fatband'
degauss = 0.036748
DeltaE = 0.005
kresolveddos = .true.
/
I know from the documentation that this error is caused by misspelling/ wrong
input values for parameters - but I just cant figure out what's wrong with this
input file? I cross-checked the spellings & input values with the documentation
at projwfc.x: input description
(quantum-espresso.org)<https://www.quantum-espresso.org/Doc/INPUT_PROJWFC.html>,
removed tags which were left at their default values in the hope that might
fix it..
I am now hoping that somebody who has done these calculations before might be
able to spot the error.
Thank you in advance - I appreciate your help!
Best wishes,
Ben Gade
Chemistry PhD Student @ University of St Andrews
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