Where to find the value of Ps.lmax for ZrO2 system?

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Rafik Karaman

Dear Shashwat Singh,

The following is an input file for ZrO2 for compiling SIESTA program. I have checked if there are the Ps.lmax values for Zn & O, however, I did not find any.

May be you have to use the default numbers!!!!!

Unfortunately, I am not familiar with kind of calculations.

https://www.mail-archive.com/[email protected]/msg00996/c-ZrO2.out

Hoping this will be helpful,

Rafik

Shashwat Singh

Thank you sir.