[QE-users] Charge density difference calculation
owais farooq
owai24831 at outlook.com
Sat Apr 12 09:26:41 CEST 2025
Hi everyone, I want to mention that I have to calculate charge density difference for 1T_NiCl2 ,for which i made three seperate directories , one for 1T_NiCl2,one for Ni , one for Cl2. After that i did scf calculations and post processing calculations for each directory and i get 3 output files one scf output file one pp.rho output file and one charge output file for each .Now i made one input file for calculation of charge density difference , i have attached that u an also check ,after running the calculation for this the output file of charge density difference shows an error(i.e; namelist plot not found or invalid exiting) ,please help me in solving this error.
thankyou .[https://res-1.cdn.office.net/assets/mail/file-icon/png/generic_16x16.png]charge_density_difference .out<https://1drv.ms/u/c/3cfa3a133c5ac6b1/ERryAPvkRWtAgMiyyiBUyJwBO8SXxn2R0WbxFRmz_iLamw>[https://res-1.cdn.office.net/assets/mail/file-icon/png/generic_16x16.png]charge_density_difference .in<https://1drv.ms/u/c/3cfa3a133c5ac6b1/EQqKDX5CgV1KsI6q4XcaVXQBSyBNZgZuQZlZHgAe1r47yQ>
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