[QE-users] [SUSPECT ATTACHMENT REMOVED] RE: Hydrogen pseudopotential file error:

[Rajesh Raju]

Hi,

I have attached all the files for reference. We use a python program for generating nanoclusters and the line for running the QE is included there (aprun -n 24  pw.x -in input.in > output.out). The RunQELig.py will generate input.in. 

The pseudopotential files are attached below. I haven't faced any issues with PAW-PBE pseudopotentails for Cu, Ru, C and O. The error is only for the H.pbe-kjpaw_ps1.1.0.0.UPF. (I attached it as txt file in the mail).

Please let me know if you need any more details. 

Version that I use: Program PWSCF v.5.4.0 

Thanks
Rajesh
________________________________________
From: users [users-bounces at lists.quantum-espresso.org] on behalf of paulatz at gmail.com [paulatz at gmail.com]
Sent: 23 June 2019 14:31
To: users at lists.quantum-espresso.org
Subject: Re: [QE-users] Hydrogen pseudopotential file error:

> I have attached the error file also which starts with the following
> lines: Can you please help me to fix this error
>
Hello,
in order to help you we need:
1. input file
2. the pseudopotential files in question
3. the version of the code you are using, and how you compile and run it

regards

--
Lorenzo Paulatto - Paris
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