[Pw_forum] B_field

孙阳 sunyang198498 at gmail.com
Mon Jun 15 16:21:51 CEST 2009


Hi, Gabriele, I think you are right. I've already performed the
constrained magnetization
calculation. Would there be anyone introduce the way using
"constrained magnetizatio".
Is it fully equivalent to applying an external field?

Thanks,

Yang

2009/6/15 Gabriele Sclauzero <sclauzer at sissa.it>:
> It seems to me that B_field can be read from input, but then is not used in the
> calculation. Maybe it was an older option which has been replaced by another solution. In
> fact I think that a better way to see the effect of an external magnetic field is to do a
> calculation with constrained magnetization (see INPUT_PW for documentation): this should
> ensure to reach the ground states, while I suspect that applying a magnetic field you
> could end in a metastable state, depending on the starting conditions.
>
> Regards
>
> GS
>
> 孙阳 wrote:
>> Dear everyone:
>>
>> I try to appy an external magnetic field about 0.01 Ry to a bulk of
>> paramagnetic material. By either looking at the spin polarization and
>> the density of states, I could not find any polarization induced.
>> Any one has an idea. It will be highly appreciated!
>>
>> Yang
>>
>
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>
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> | Gabriele Sclauzero, PhD Student                  |
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