[QE-users] kpoint

Paolo Giannozzi paolo.giannozzi at uniud.it
Sat Aug 23 18:48:35 CEST 2025


Your description of what is happening is quite confusing. Note that if 
you have more than 100 k-points, you have to use option 
"verbosity='high'" (in the QE calculation) to have the Kohn-Sham 
energies reprinted on output

Paolo
On 8/23/2025 1:13 PM, Maral Zamani via users wrote:
> I want to extract more k points, around 100, from xcrysden, but xcrysden 
> doesn't give this number of points? The xcrysden version is 1.5.
> 
> 
> 
> _______________________________________________________________________________
> The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare.
> --------------------------------------------------------------------------------
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users

-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216



More information about the users mailing list