[QE-users] [SUSPECT ATTACHMENT REMOVED] Re: error in routine pw_readschemafile (1): xml data file not found

[Vivek Christhunathan]

Yeah, sure. I will do that.

Kind Regards,

Vivek C


__________________________________

Vivek Christhunathan

PhD researcher

Mechanical Engineering

College of Engineering and Informatics

Room 2053

Alice Perry Engineering Building

National University of Ireland Galway

Ireland
E-mail: v.christhunathan1 at nuigalway.ie
Phone: +353 899811181, +91 9600752742



On Thu, Jul 16, 2020 at 5:34 PM Pooja Vyas <poojavyas595 at gmail.com> wrote:

> Tags seems OK. Try running scf calculation again.
>
> On Thu, Jul 16, 2020 at 4:57 PM Vivek Christhunathan <vivekppn at gmail.com>
> wrote:
>
>> Hi Pooja,
>>
>> Thank you so much for your suggestion.
>>
>> I hope I have given all the necessary tags in the input file (you can
>> verify). How can I rectify this issue? Can you give any solution for this
>> problem?
>>
>> Kind Regards,
>>
>> Vivek C
>>
>>
>> __________________________________
>>
>> Vivek Christhunathan
>>
>> PhD researcher
>>
>> Mechanical Engineering
>>
>> College of Engineering and Informatics
>>
>> Room 2053
>>
>> Alice Perry Engineering Building
>>
>> National University of Ireland Galway
>>
>> Ireland
>> E-mail: v.christhunathan1 at nuigalway.ie
>> Phone: +353 899811181, +91 9600752742
>>
>>
>>
>> On Thu, Jul 16, 2020 at 4:25 PM Pooja Vyas <poojavyas595 at gmail.com>
>> wrote:
>>
>>> The error is due to that missing file
>>>
>>> On Thu, Jul 16, 2020 at 4:23 PM Pooja Vyas <poojavyas595 at gmail.com>
>>> wrote:
>>>
>>>> If I'm not wrong, there must be such a file created after scf
>>>> calculation.
>>>>
>>>> On Thu, Jul 16, 2020 at 4:23 PM Vivek Christhunathan <
>>>> vivekppn at gmail.com> wrote:
>>>>
>>>>> Hi Pooja,
>>>>>
>>>>> No, I didn't receive any .xml file after scf calculation.
>>>>>
>>>>> Kind Regards,
>>>>>
>>>>> Vivek C
>>>>>
>>>>>
>>>>> __________________________________
>>>>>
>>>>> Vivek Christhunathan
>>>>>
>>>>> PhD researcher
>>>>>
>>>>> Mechanical Engineering
>>>>>
>>>>> College of Engineering and Informatics
>>>>>
>>>>> Room 2053
>>>>>
>>>>> Alice Perry Engineering Building
>>>>>
>>>>> National University of Ireland Galway
>>>>>
>>>>> Ireland
>>>>> E-mail: v.christhunathan1 at nuigalway.ie
>>>>> Phone: +353 899811181, +91 9600752742
>>>>>
>>>>>
>>>>>
>>>>> On Thu, Jul 16, 2020 at 4:09 PM Pooja Vyas <poojavyas595 at gmail.com>
>>>>> wrote:
>>>>>
>>>>>> Is there any file generated with extension .xml in your directory
>>>>>> after scf calculation?
>>>>>>
>>>>>> On Thu, Jul 16, 2020 at 3:59 PM Vivek Christhunathan <
>>>>>> vivekppn at gmail.com> wrote:
>>>>>>
>>>>>>> Hi Paolo,
>>>>>>>
>>>>>>> Did you receive my input and output files?
>>>>>>>
>>>>>>> Kind Regards,
>>>>>>>
>>>>>>> Vivek C
>>>>>>>
>>>>>>>
>>>>>>> __________________________________
>>>>>>>
>>>>>>> Vivek Christhunathan
>>>>>>>
>>>>>>> PhD researcher
>>>>>>>
>>>>>>> Mechanical Engineering
>>>>>>>
>>>>>>> College of Engineering and Informatics
>>>>>>>
>>>>>>> Room 2053
>>>>>>>
>>>>>>> Alice Perry Engineering Building
>>>>>>>
>>>>>>> National University of Ireland Galway
>>>>>>>
>>>>>>> Ireland
>>>>>>> E-mail: v.christhunathan1 at nuigalway.ie
>>>>>>> Phone: +353 899811181, +91 9600752742
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>> On Thu, Jul 16, 2020 at 3:18 PM Vivek Christhunathan <
>>>>>>> vivekppn at gmail.com> wrote:
>>>>>>>
>>>>>>>> Hi Paolo,
>>>>>>>>
>>>>>>>> Please find the attachment for the reference.
>>>>>>>>
>>>>>>>> Kind Regards,
>>>>>>>>
>>>>>>>> Vivek C
>>>>>>>>
>>>>>>>>
>>>>>>>> __________________________________
>>>>>>>>
>>>>>>>> Vivek Christhunathan
>>>>>>>>
>>>>>>>> PhD researcher
>>>>>>>>
>>>>>>>> Mechanical Engineering
>>>>>>>>
>>>>>>>> College of Engineering and Informatics
>>>>>>>>
>>>>>>>> Room 2053
>>>>>>>>
>>>>>>>> Alice Perry Engineering Building
>>>>>>>>
>>>>>>>> National University of Ireland Galway
>>>>>>>>
>>>>>>>> Ireland
>>>>>>>> E-mail: v.christhunathan1 at nuigalway.ie
>>>>>>>> Phone: +353 899811181, +91 9600752742
>>>>>>>>
>>>>>>>>
>>>>>>>>
>>>>>>>> On Thu, Jul 16, 2020 at 9:54 AM Paolo Giannozzi <
>>>>>>>> p.giannozzi at gmail.com> wrote:
>>>>>>>>
>>>>>>>>> On Thu, Jul 16, 2020 at 10:38 AM Vivek Christhunathan <
>>>>>>>>> vivekppn at gmail.com> wrote:
>>>>>>>>>
>>>>>>>>> Herewith, I have attached
>>>>>>>>>>
>>>>>>>>>
>>>>>>>>> have you?
>>>>>>>>> --
>>>>>>>>> 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
>>>>>>>>
>>>>>>>> _______________________________________________
>>>>>>> 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
>>>>>>
>>>>>> _______________________________________________
>>>>>> 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
>>>>>
>>>>> _______________________________________________
>>>>> 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
>>>>
>>>> _______________________________________________
>>> 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
>>
>> _______________________________________________
>> 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
>
> _______________________________________________
> 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200716/7e46d15b/attachment.html>