Dear Wien2k user:
I am very new in WIEN2k. Now I am running case on our crystal system which
contains a transition metal Cr. I am particularly interested in the d orbital
splitting, the energy levels of 5 d orbitals. Does anyone know how to calculate
the orbital splitting using WIEN2k?
I'v r
On Sun, Aug 23, 2015 at 07:51:33PM +, Lan, Wangwei wrote:
> Dear Wien2k user:
>
>
> I am very new in WIEN2k. Now I am running case on our crystal system
> which contains a transition metal Cr. I am particularly interested in
> the d orbital splitting, the energy levels of 5 d orbitals. Does a
Dear Wien2k users,
Recently, I have installed Wien2K_13.1 program in my SMP, having 12
threads. I have run serial calculations without giving an error with this
PC. Now, I want to implement parallel calculations and installed
'fftw-3.3.4', 'l_mpi_p_5.1.0.038' and 'openmpi-1.8.8'. Although, the
re-
Von: nov...@fzu.cz
Datum: 07.08.2015 09:30
Dear Bin Shao,
we routinely calculate rare-earth magnetism in oxides and fluorides
using combination of WIEN2k, Wannier90 and atomic-like program. Attached
is our latest paper submitted to J. Rare Earth on RE Kramers ions in
garnets.
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