[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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