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

imane BEZZAOUI imane.bezzaoui at ump.ac.ma
Thu Dec 22 12:40:33 CET 2022


Dear  Guido Fratesi,
thank you for your replay,

I tried to check my pw output I didn't understand how I get those
parameters and I didn't find any documentation that explains more this step,
I try to start with the example of /PP/examples/example03/. but didn't work

here is my input for Copper-adatom hosted on Cu(111) with 18 layers , scf
and nscf output

 nscf-cu.out
<https://drive.google.com/file/d/11kRgmrjuOFAH5SpFdtVApnAZ67OKLjep/view?usp=drive_web>

 scf.in.in
<https://drive.google.com/file/d/1Mixpc1wNhYeRoB440C6tA0pySWa-gLtE/view?usp=drive_web>

 scf-cu.out
<https://drive.google.com/file/d/12MIN1H59RLS-rOMm8S9TWvUs9BNsOeka/view?usp=drive_web>

Best regards.
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