[Pw_forum] Good values for Dispersion interactions parameters

[Venkataramana Imandi]

Dear all

How to take good values of london_s6 and london_rcut for bulk Iridium
(total atoms:72). Similarly, how to determine landon_s6 and london_rcut
values for Iridium using any mathematical formula instead of taking default
values from the QE keywords list.
Any suggestions are valuable to me. I am anticipatively thanks.


venkataramana
PhD student,
IIT Bombay
Mumbai
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