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

[Lorenzo Paulatto]

I think that version of the code is too old for that pseudopotential file

kind regards

On 6/23/19 5:14 PM, Rajesh Raju wrote:
> 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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-- 
Lorenzo Paulatto - Paris