[Re:05] Energy band plot

Posted on : September 26, 2014 (Fri) 23:58:12

by Hitoshi Gomi

Hi Jeremy,

> How to set the lattice constants of AkaiKKR?
Please refer to the following.

Installing and Running AKAI KKR
ttp://www.ghfecher.de/Run_AKAI-KKR.pdf
> a, c/a,b/a, alpha, beta, gamma: geometrical data.
> a lattice constant, in atomic units, along a axis,
> c/a c/a ratio,
> b/a b/a ratio,
> alpha angle α between b and c axis in degree,
> beta angle β between c and a axis in degree,
> gamma angle γ between a and b axis in degree.

Hitoshi