higher precision on EIGENVAL values and spin-orbit splitting

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cosmos

higher precision on EIGENVAL values and spin-orbit splitting

#1 Post by cosmos » Mon Jul 27, 2009 4:55 am

Hi 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
Last edited by cosmos on Mon Jul 27, 2009 4:55 am, edited 1 time in total.

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

#2 Post by support_vasp » Wed Sep 04, 2024 2:09 pm

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.

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