Thanks.
On Tue, Mar 22, 2016 at 3:39 AM, Peter Blaha
wrote:
> Hard to say.
>
> Please note: BSE is run only once (or a few times to check convergence), but
> no scf cycle and in particular no structure optimization. Thus TIME is
> usually not so much of a problem, but it is "quality" of computer.
Hard to say.
Please note: BSE is run only once (or a few times to check convergence),
but no scf cycle and in particular no structure optimization. Thus TIME
is usually not so much of a problem, but it is "quality" of computer.
A 16 atom cell for BSE needs probably huge memory and you may nee
I have a unit cell with 16 atoms and I ran my jobs on a cluster which
charges around 0.02 dollar per CPU hour. I guess it would be too
expensive to do the BSE calculation.
On Tue, Mar 22, 2016 at 2:59 AM, Peter Blaha
wrote:
> I updatedwww.wien2k.at/reg_user
>
> For BSE the same conditions a
I updatedwww.wien2k.at/reg_user
For BSE the same conditions apply as for the NCM code.
Please be aware, BSE requires even for the simplest systems a big
cluster with 64-512 cores and you really need to know how to install and
run big mpi parallel programs.
The documentation is quite incomp
How to download BSE code? I can't find it on the WIEN2k download page.
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