Dear admin，
I'd like to ask you several questions.
In a hexagonal crystal system, how do I give the magnestism? Do I give the initial magnetism according to the hexagonal coordinate or cartesian coordinate?
The second question is about the energy simulation of a spin-orbital coupling(SOC) system. Would you please tell me if I'm wrong. I need to know the exact energy of a system considering SOC. At first, I calculate the charge car(CC) and wavecar(WC) of non-magnetic system. Then I calculate the energy with SOC and non-collinear magnetism considering the non-magnetic's CC and WC by setting ICHARGE=1. Am I right?
Can I get the accurate energy by setting LREAL = Auto? Or should I must set LREAL = .FALSE. ?
About non-collinear energy calculations
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liuhuimeiwoo
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About non-collinear energy calculations
Last edited by liuhuimeiwoo on Sat May 04, 2013 9:20 am, edited 1 time in total.
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support_vasp
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Re: About non-collinear energy calculations
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