issue with r_setup file
Posted: Tue Jun 25, 2024 4:27 pm
Hello,
In the QE input file, I have two types of O atoms labeled as O and Ox. When I analyze the r_setup file, I see that Yambo identifies Ox as "xx". Is it safe to continue the calculation like this?
Here I have attached the report file and the SCF input.
Thanks
Niranji
In the QE input file, I have two types of O atoms labeled as O and Ox. When I analyze the r_setup file, I see that Yambo identifies Ox as "xx". Is it safe to continue the calculation like this?
Here I have attached the report file and the SCF input.
Thanks
Niranji