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higher precision on EIGENVAL values and spin-orbit splitting

Posted: Mon Jul 27, 2009 5:08 am
by cosmos
Dear all,

Have any one of you modified the source code to change the precision of EIGENVAL values (currently they have only 4 digits after decimal point)? I looked up the source code and found quite a few places where EIGENVAL was defined. Do I need to change all of them if I intend to increase the precision of the eigen values?

The reason I want to increase the precision is that I saw some literature that the spin-orbit splitting of graphene was calculated and I wanted to reproduce those calculations. But the spin-orbit splitting of graphene is very small (about micron eV level). I suppose the spin-orbit splitting is read from the bandstructure (EIGENVAL values). So if my assumption is correct, the EIGENVAL values must have higher precision.

Any suggestion/clarification will be highly appreciated.

Cosmos

Re: higher precision on EIGENVAL values and spin-orbit splitting

Posted: Wed Sep 11, 2024 2:39 pm
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP