[QE-users] {Disarmed} projwfc namelist error

[Paolo Giannozzi]

There is nothing wrong in your input, so you should verify that
1. the specific QE version you are running can understand your input 
(some newer variables are not read by older codes)
2. there are no characters that should not be there: Windows ' or ", 
ctrl-something, CR/LF, tabs, ...
3. the file does not end with the "/" but there is a CR at the end 
(shouldn't make any difference but with some compilers the namelist 
doesn't like "/" as last character)
4. your MPI library is not confused by input redirection ("<"): just try 
"-in input-file"

Paolo

On 14/10/2024 17:57, Ben Gade via users wrote:
> 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 *MailScanner has detected a possible fraud 
> attempt from "www.quantum-espresso.org" claiming to be* 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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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216