[QE-users] {Disarmed} projwfc namelist error

[Ben Gade]

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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