[QE-users] Pseudopotentials

[Zacharias Fthenakis]

Thanks for your help. You were right.

On Wed, Sep 5, 2018 at 11:49 AM, Dr. K. C. Bhamu <kcbhamu85 at gmail.com>
wrote:

> As you said that you did  copy paste. So there might be some format issue.
> I suggest you to directly save the PP into your machine instead of copy
> and paste and transfer it wherever you want to put.
> .
> Some time copy and paste may change the formate of PP file.
>
> regards
> Bhamu
>
>
> On Wed, Sep 5, 2018 at 9:09 PM, Hari Paudyal <hpaudya1 at binghamton.edu>
> wrote:
>
>> Hi Dr. Zacharies,
>>
>> I just tested the potential in case of graphene, it worked fine for me. I
>> used the recommended eutoffs from the potential and qe-6.3 version. I
>> wonder, if you have something problem downloading the potential correctly,
>> otherwise it should go fine, I guess.
>>
>> Cheers,
>> Hari Paudyal
>> SUNY Binghamton, USA
>>
>> On Wed, Sep 5, 2018 at 10:44 AM, Zacharias Fthenakis <
>> zfthenakis at mail.usf.edu> wrote:
>>
>>> Is there any problem with pseudopotentials released recently (4 Sept.
>>> 2018)? I used copy and paste to get a copy of C.pbe-n-kjpaw_psl.1.0.0.UPF
>>> from https://www.quantum-espresso.org/pseudopotentials/ps-library/c in
>>> my account, but when I tried to run the code, it didn't work. I get the
>>> error message "Error in routine read_ncpp (5):      pseudo file is empty or
>>> wrong". Moreover, on top of the webpage there is the following message
>>> "This XML file does not appear to have any style information associated
>>> with it. The document tree is shown below." The corresponding
>>> pseudopotential for Cobalt, (Co.pbe-spn-kjpaw_psl.0.3.1.UPF) created in
>>> May 4, 2018 seems to work fine and the message for the XML file did not
>>> appear. Does anyone know what is going on?
>>>
>>>
>>>
>>> --
>>> -----------------------------------------------------------------------
>>> Dr Zacharias G. Fthenakis
>>> Research Associate
>>> Physics Department
>>> University of South Florida
>>> 4202 E Fowler Ave. ISA5119
>>> Tampa, FL, 33620, USA
>>> -----------------------------------------------------------------------
>>>
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>>
>>
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>
>
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-- 
-----------------------------------------------------------------------
Dr Zacharias G. Fthenakis
Research Associate
Physics Department
University of South Florida
4202 E Fowler Ave. ISA5119
Tampa, FL, 33620, USA
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