[QE-users] Pseudopotentials error: not a valid URI

Vedant Sachin Bang f20190251 at goa.bits-pilani.ac.in
Wed Jul 28 11:26:30 CEST 2021


Hello Users

I am attempting to use the PWscf to perform scf calculations. I am using
BURAI version 1.3 as a GUI for Quantum Espresso.
However, pw.exe is unable to locate the pseudopotentials directory on the
system.
The following error is printed:
Could not open file
C:\Users\vedan\.burai\.pseudopot\Hf.pbe-spfn-kjpaw_psl.1.0.0.UPF - not a
valid URI

This occurs even after having set the 'pseudo_dir' properly in the input
file:
pseudo_dir  = "C:\Users\vedan\.burai\.pseudopot"

The pseudopotentials were downloaded as a part of BURAI itself, and they
seem to be correct to me.

I have gone through the mail archives for this mailing list, and read
through the following conversations but none helped:
https://www.mail-archive.com/users@lists.quantum-espresso.org/msg38035.html
https://www.mail-archive.com/users@lists.quantum-espresso.org/msg38526.html

Version of QE installed: 6.4.1
Operating System: Windows 10

If someone has figured out the fix, or can help me out, I'd be very
grateful!

Thanks and Regards
Vedant
Undergraduate Student
Birla Institute of Technology and Science Pilani, Goa
India
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210728/133fd391/attachment.html>


More information about the users mailing list