[QE-users] mesh mismatch

[Holzwarth, Natalie]

>From the ATOMPAW side,    I will be very happy to adjust the output for
Quantum Espresso as necessary to accommodate any new UPF formatting.....
   Thanks, Natalie
N. A. W. Holzwarth                                       email:
natalie at wfu.edu
Department of Physics                                  web:
http://www.wfu.edu/~natalie
Wake Forest University                                 phone:
1-336-758-5510
Winston-Salem, NC 27109 USA                     office: Rm. 300 Olin
Physical Lab


On Thu, Oct 22, 2020 at 11:29 AM Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> On Thu, Oct 22, 2020 at 5:16 PM Sergey Lisenkov <proffess at yandex.ru>
> wrote:
>
> I encountered a problem with my PAW pseudopotentials from ATOMPAW:
>>
>> mismatch mesh
>>
>> that comes from upflib/read_upf_new.f90
>>
>> I checked my UPF file and I see that meshes are different in some places
>> of the file, however v.6.6 is OK with that.
>>
>> Was something changed in the code as well?
>>
>
> yes, the code reading the pseudopotentials has changed a lot, but it
> should read files exactly as before. Please provide the pseudopotential
> file.
>
> Paolo
>
>
>>
>> Thanks,
>>  Sergey
>>
>> USF
>> _______________________________________________
>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
>> users mailing list users at lists.quantum-espresso.org
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>
>
>
> --
> 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)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
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