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Band Structure Plot using QE of a 2D material #145

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sourentpty opened this issue Apr 26, 2024 · 2 comments
Open

Band Structure Plot using QE of a 2D material #145

sourentpty opened this issue Apr 26, 2024 · 2 comments

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@sourentpty
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sourentpty commented Apr 26, 2024

Dear Developer and users,
I am trying to plot band structure of a 2D material using QE and pyprocar, but I got error "AttributeError: 'QEParser' object has no attribute 'spd'.

Here I put the python file

import os
import pyprocar
data_dir = './'
pyprocar.bandsplot(
code='qe',
mode='plain',
fermi=-5.415900,
dirname=data_dir)

How to fix these error? Please help me to fix the error.

@kamecham
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I had same problem but, I can solve this error changing “outdir” in scf.in.
The "/" at the end of the output directory path has been removed.

(1). I have the error when I set “outdir=./xxx/” in sci.in
(2). the error was solved when I set “outdir=./xxx” in sci.in

the writing style at (1) is fine in Q.E., but can be problematic in pyprocar.

@sourentpty
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Thank You very much!

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