[Wien] Reg: Critic program
Víctor Luaña Cabal
victor at fluor.quimica.uniovi.es
Wed Feb 24 16:39:11 CET 2016
On Wed, Feb 24, 2016 at 09:28:52AM +0530, Peram sreenivasa reddy wrote:
> Dear Wien2k,
>
> I am working on a magnetic compound of X2YZ type. I am trying to find the
> charge flow between the elements. From the previous mailing list i found
> that *X aim *can be useful to find the Bader charge from case.outputaim
> file. To get more information about the Bader analyses i am trying to run
> the critic programme.
>
> I ran the test example of *fe-alpha *which is having magnetic case
> calculations but i am not able to plot the contours.In that test i have
> different folders like *fe-alpha-auto,* *fe-alpha-del2plot,
> fe-alpha-fluxprint, fe-alpha-integrals-bis, fe-alpha-basinplot,
> fe-alpha-densiplot, fe-alpha-integrals, fe-alpha-line.*
>
> Here i am confusing which file i need to take to plot the charge flow.
>
> Please help me .......
The critic code is substituted by an improved and more flexible version:
critic2. You can find the version in continuous development in
<https://github.com/aoterodelaroza?tab=repositories>
critic2 lets the user combine several types of data sources in more
complex arithmetic entities. Please, take a look.
Best regards,
Víctor Luaña
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