Re: the distance cutoff when do the spin dynamics

[Xu He]

Hi, 

You can use the --rcut parameter to truncate the J's to the distance if you know they are small enough. 

Best regards, 

HeXu

On Mon, Mar 11, 2024 at 1:49 PM chao zhou <zc97...@gmail.com> wrote:

Dear He Xu,

I hope this email finds you well. I am writing to express my gratitude for your invaluable assistance regarding model applicability in our previous correspondence. Your insights have been immensely helpful.

I have another query regarding the TB2J model. It has come to my attention that TB2J may generate numerous long-range exchange interactions, possibly extending up to 10 Å. While these exchange interactions may indeed have tangible effects in reality, in spin dynamics calculations, it might be necessary to truncate them. Perhaps, when these exchange interactions are significantly smaller than the nearest-neighbor exchange interactions, they could be truncated.

I would greatly appreciate your perspective on this matter. Your expertise in this field would be invaluable in guiding our approach. Thank you once again for your time and assistance. I eagerly await your response.

Warm regards,

zhouchao

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[Arti Kumari]

Respected sir 

i am arti kumari PhD scholar in iit ( ism)  dhanbad my work is based on DFT analysis  using material software siesta When i installed this siesta _4.1.5 in ubuntu 22.04 got error like this

218 |         call cdiag(Haux,Saux,2*nuotot,2*nuo,2*nuotot,eo(1,ik),psi,
      |                                                     2
......
  296 |         call cdiag(Haux,Saux,2*nuotot,2*nuo,2*nuotot,caux,psi,
      |                                                     1
Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)).

can you please solve this error sir i am very thankful to you sir

[Xu He]

Hello, 

This is not the siesta forum. The right place to ask this question is https://forum.simuneatomistics.com/

Best Regards, 

HeXu

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