[QE-users] Pseudo potential

[tanmay chaki]

Dear sir,
As your suggestions I have changed the required things. But I got total
magnetization zero. but this compound has a magnetic moment which is
reported in the journal. I have attached the input and output file. please
help me to do correct calculations.
Thanking you.

Tanmay Chaki
Research Scholar
N.B.U


On Fri, Aug 28, 2020 at 11:16 PM tanmay chaki <tanmaychaki at gmail.com> wrote:

> Thanks for your suggestions
>
> On Fri, 28 Aug, 2020, 10:43 pm Yuvam Bhateja, <yuvamb16 at gmail.com> wrote:
>
>> Hey,
>>
>> As per my knowledge, there's no specific pseudopotential for spin
>> calculation.
>>
>> You need to use commands like nspin and starting_magnetization in order
>> to start your spin calculation.
>>
>> Your choice of XC Functional can affect the results in your spin
>> calculation.
>>
>> Let me know if it helps.
>>
>> Regards
>> Yuvam Bhateja
>>
>> On Fri, 28 Aug 2020, 10:38 pm tanmay chaki, <tanmaychaki at gmail.com>
>> wrote:
>>
>>> Hello QE users,
>>> Is there any specific Pseudo potential for spin polarized calculation?
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>
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