Hello everyone,
I'm tryint ot calculate the work function of a metal slab and I
successful did that on a 100 facet of the respective metal.
But I'm getting an error when I run pp.x computation on a 110 facet system.
When I run pp.x, I run into the error below:
---------------------------------------------------
Error in routine chdens (1):
nx,ny,nz, required
----------------------------------------------------
What does it really mean or what could be wrong?
How do I resolve it please?
Thank you.
Kind Regards,
Elliot.
Thank you.
--
Elliot S. Menkah
Research Student - Computational Chemistry/ Computational Material Science
Theoretical and Computational Chemistry
Dept. of Chemistry
Kwame Nkrumah UNiversity of Sci. and Tech.
Kumasi
Ghana
Tel: +233 243-055-717
Alt Email: [email protected]
[email protected]
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