[Wannier] Verification of Statements Regarding Quantum ESPRESSO and Wannier90

wenusaras wenusaras at uom.lk
Sun Dec 22 04:37:41 CET 2024


Dear QE & Wannier90 Users,

I am writing to verify two statements from the book "Quantum ESPRESSO 
Course for Solid-State Physics: A Hands-On Guide":

Parallel Support of Wannier90: The book states that wannier90.x can only 
run on a single processor and mpirun cannot be used, Could you please 
confirm if this is accurate?

Effect of Different Number of Processes: The book mentions that the 
number of processors (np) used in pw2wannier90.x must be the same as in 
pw.x. What would be the impact on the localization of obtained Wannier 
functions if different numbers of processes are used in pw2wannier90.x 
and pw.x?

Thank you for your assistance.
-- 
Thank You
Wenusara Satheekshana
BSc(Eng), MSc(reading)
University of Moratuwa, Sri Lanka.


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