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

[Paolo Giannozzi]

I have the impression that the main obstacle to run QE on Windows is to
convince Windows to find files where they are supposed to be

Paolo

On Wed, Jul 28, 2021 at 12:25 PM Lorenzo Paulatto <paulatz at gmail.com> wrote:

> Dear Vendant,
> the way fortran interprets Windows file names (in particular the "\"
> characters and "X:" prefix) may depend on the compiler and system
> libraries. If you have compiled QE using WSL, you definitely have to use
> Unix path names relatives to the WSL installation (no idea about the
> details, but I'm sure Microsoft and Google can help you), if you are using
> some kind of native binary, then it depends on the compiler. Maybe using
> "\\" or "/" in place of "\" would help.
>
> A quick solution would be to put the pseudopotentials in the directory in
> which you are running the code an just set  pseudo_dir to "."
>
> kind regards
>
> --
> Lorenzo Paulatto - Paris
> On Jul 28 2021, at 11:26 am, Vedant Sachin Bang <
> f20190251 at goa.bits-pilani.ac.in> wrote:
>
> 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://link.getmailspring.com/link/C12D3357-FBD4-4902-8552-E955BA1F5A2F@getmailspring.com/0?redirect=https%3A%2F%2Fwww.mail-archive.com%2Fusers%40lists.quantum-espresso.org%2Fmsg38035.html&recipient=dXNlcnNAbGlzdHMucXVhbnR1bS1lc3ByZXNzby5vcmc%3D>
> https://www.mail-archive.com/users@lists.quantum-espresso.org/msg38526.html
> <https://link.getmailspring.com/link/C12D3357-FBD4-4902-8552-E955BA1F5A2F@getmailspring.com/1?redirect=https%3A%2F%2Fwww.mail-archive.com%2Fusers%40lists.quantum-espresso.org%2Fmsg38526.html&recipient=dXNlcnNAbGlzdHMucXVhbnR1bS1lc3ByZXNzby5vcmc%3D>
>
> 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
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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