[QE-users] How to specified the occupancies for all bands and K points?

[Paolo Giannozzi]

On 12/3/24 10:00, jgsi at foxmail.com wrote:
> 
> Dear all,
> 
> I want to change the occupancies by myself. How to set it for all bands 
> and K points？
 > > I found that the OCCUPATIONS can be set as "from_input". But this
> should/*only valid for a single k-points*/. How can I set occupations 
> for all K points just like the key words of FERWEor *FERDO *for vasp ?

currently, you cannot. In order to do that, you need to modify the code. 
It is not difficult but must be done carefully

Paolo

> 
> Thanks & Regards!
> 
> Jianguo Si
> ------------------------------------------------------------------------
> jgsi at foxmail.com
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216