[QE-users] How to define boxes for LDOS calculation?

imane BEZZAOUI imane.bezzaoui at ump.ac.ma
Mon Dec 19 13:02:37 CET 2022


Dear All,

I want to calculate Local density of states using quantum espresso. As to
my knowledge, this can be done using "Projwfc.x" in which we need to define
boxes for LDOS. My query is to how to define the boxes? what are 'Irmin',
'irmax' and how to set those values ?
https://gitlab.com/QEF/q-e/-/tree/master/PP/examples/example03

Best regards,
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