Dear Dr. Tran
Thank you very much.
From: Wien on behalf of
t...@theochem.tuwien.ac.at
Sent: Thursday, October 27, 2016 1:57 PM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] how to do Spin orbital coupling with hubbard U
Once you know (from
Dear Dr. Tran
Thank you very much for clearing my doubt.
I have one more question about selecting the volume (structure) for the final
calculation. In the volume optimization, normally, we get a different volume
than the original volume for the minimum energy from E Vs V plot. Then, which
str
Once you know (from eplot) at which geometry E is the lowest,
there is no other choice than to manually enter in case.struct
the lattice constants and angles of that geometry.
On Thursday 2016-10-27 20:07, Ranasinghe, Jayangani wrote:
Date: Thu, 27 Oct 2016 20:07:43
From: "Ranasinghe, Jayangan
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