[Wien] WIEN2k-3233

[Burhan Ahmed]

Tutorial 5 works fine for me. I just followed up with the two documentations

  1.
WloopPHI: A tool for ab initio characterization of Weyl semimetals (
https://doi.org/10.48550/arXiv.2008.08124


2. Tutorial 5: Weyl points characterization in TaAs
https://wien2k-algerien1970.blogspot.com/2021/12/tutorial-5-weyl-points-characterization.html
[https://lh3.googleusercontent.com/blogger_img_proxy/ALY8t1tclpmH-J07Y3QKrEKqHSERW9cqDY18ks9FhshgSbl1vP5LN3kVrbT_Z_3l6PUsEG3bl_OwTVosrHjB7YEugdykBj4--fKnCchqUpSrmX03BRoQs_GRSXjNinjtgIJ9Zty-YqnG=w1200-h630-p-k-no-nu]<https://wien2k-algerien1970.blogspot.com/2021/12/tutorial-5-weyl-points-characterization.html>
Tutorial 5: Weyl points characterization in TaAs<https://wien2k-algerien1970.blogspot.com/2021/12/tutorial-5-weyl-points-characterization.html>
  In this tutorial, we calculate the chirality of Weyl points (using WIEN2K density functional pa...
wien2k-algerien1970.blogspot.com


________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Safae Benyoussef <safaebenyoussef at gmail.com>
Sent: Thursday, November 2, 2023 1:56 PM
To: Wien at zeus.theochem.tuwien.ac.at <Wien at zeus.theochem.tuwien.ac.at>
Subject: [Wien] WIEN2k-3233


Hello,

I am writing to seek your assistance in testing Example 5 of the tutorial for Raspberry Pi - TaAs.

I have encountered several issues while attempting to run this example. Despite my efforts to resolve them by using both the Wein19, Wein21, and Wein23 versions, the same errors persist:

d
Input file name: Wloop.in
Additional options:
Checking existance of Wloop.in
-- OK
Success
Working directory = /home/halima/Documents/wien19/SRC_BerryPI/BerryPI/tutorials/tutorial5/TaAs
Wilson Loop ---------------------  1 of 91
  File "/home/halima/Documents/wien19/SRC_BerryPI/BerryPI/berrypi", line 184
    print(DEFAULT_PREFIX + f"SCRATCH = {scratch}")
                                                ^
SyntaxError: invalid syntax
Traceback (most recent call last):
  File "WloopPHI.py", line 267, in <module>
    direction, Data = Solve(WorkingDir, KlistFileName, n, multiplier, S_Band, E_Band, K_Start, K_End)
  File "WloopPHI.py", line 162, in Solve
    with open(berrypiOutFileName, 'r') as read_file:
FileNotFoundError: [Errno 2] No such file or directory: 'TaAs.outputberry'

I would greatly appreciate your guidance and support in troubleshooting and resolving these issues.

Thank you in advance for your assistance.

Cordially,

Safae Benyoussef
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