[QE-users] ONCV pseudopotential files are "not readable"

Paolo Giannozzi p.giannozzi at gmail.com
Sun Jun 21 09:40:49 CEST 2020


On Sun, Jun 21, 2020 at 5:50 AM Jibiao Li <jibiaoli at foxmail.com> wrote:

>
> I downloaded those pp files from the offical website of QE. I am using QE
> 6.4.1. What's wrong with the PP files?
>

nothing is wrong. They work for me (and many other people as well, I am
sure)

Paolo


> Jibiao Li
>
>
> ------------------ Original ------------------
> *From:* "p.giannozzi"<p.giannozzi at gmail.com>;
> *Date:* Sat, Jun 20, 2020 06:16 PM
> *To:* "Quantum ESPRESSO users Forum"<users at lists.quantum-espresso.org>;
> *Subject:* Re: [QE-users] ONCV pseudopotential files are "not readable"
>
> Where did you find those pseudopotentials, and which version of QE are you
> using?
>
> Paolo
>
> On Sat, Jun 20, 2020 at 3:05 AM Jibiao Li <jibiaoli at foxmail.com> wrote:
>
>> Dear All,
>>
>> I am trying to perform calculations using ONCV pseudopotential files
>> online, but the calculations always complain that the files are "not
>> readable".  Any idea to resolve this issue?
>>
>>
>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>      task #         6
>>      from readpp : error #         1
>>      file /home/yons/pseudo/ONCV/H_ONCV_PBE_sr.UPF not readable
>>
>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>
>>
>>
>>
>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>      task #        33
>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%     file
>> /home/yons/pseudo/ONCV/H_ONCV_PBE     task #        38      from readpp :
>> error #         1
>>      file /home/yons/pseudo/ONCV/H_ONCV_PBE_sr.UPF not readable
>>
>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>
>> %%%%%%%%%%%%%%%%%%% %%%%%%%%%%%%%%%
>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>
>>
>>
>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>      task #         4
>>
>>
>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>      task #        37      from readpp : error #         1     from
>> readpp : error #         1
>>      file /home/yons/pseudo/ONCV/H_ONCV_PBE_sr.UPF not readable
>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>
>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%     f
>> le /home/yons/pseudo/ONCV/H_ONCV_PBE_sr.UPF not readable
>>
>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>
>> %%%%
>>
>>
>> ------------------------------
>> *Dr. Jibiao Li, *
>> *Department of Material Science and Engineering*
>> *Yangtze Normal University*
>> *Juxian Dadao 16#, Fuling, Chongqing, China*
>> *Email: jibiaoli at yznu.edu.cn <jibiaoli at yznu.edu.cn>, jibiaoli at foxmail.com
>> <jibiaoli at foxmail.com>, jibiao.li at hotmail.com <jibiao.li at hotmail.com>*
>> *Homepage: https://www.researchgate.net/profile/Jibiao_Li
>> <https://www.researchgate.net/profile/Jibiao_Li>*
>> _______________________________________________
>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
>> users mailing list users at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
>
>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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