[Wien] Spin densities in up and down cases

pachineela rambabu rams.hcu at gmail.com
Sat Apr 18 15:21:58 CEST 2020


Dear Tran, thank you very much for the reply. I want to find the spin
densities difference and integrate the difference up to difference less
than zero.

thanks,

On Sat, Apr 18, 2020, 18:47 Tran, Fabien <fabien.tran at tuwien.ac.at> wrote:

> The files case.clmup and case.clmdn ​contain the up and down electron
> densities.
>
> But without knowing what you want to do, we can not help you more.
>
>
> ------------------------------
> *From:* Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of
> pachineela rambabu <rams.hcu at gmail.com>
> *Sent:* Saturday, April 18, 2020 3:02 PM
> *To:* A Mailing list for WIEN2k users
> *Subject:* [Wien] Spin densities in up and down cases
>
> Dear wien2k,
>                        I want to get spin up and down density files from
> wien2k. How to get them.
>
> Thanks,
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