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
higher precision on EIGENVAL values and spin-orbit splitting
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cosmos
higher precision on EIGENVAL values and spin-orbit splitting
Last edited by cosmos on Mon Jul 27, 2009 4:55 am, edited 1 time in total.
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support_vasp
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Re: higher precision on EIGENVAL values and spin-orbit splitting
Hi,
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