[Wien] charge density contribution from each band

[Andrzej Koleżyński]

Hi Armando,

  All data you are asking for, are stored in files case.helpXXX.
Some time ago I wrote short program in C under MS Windows(Borland C 
Builder), which collect the charge information for all bands and all 
k-points directly taken from case.helpXXX files. It can be easily 
modified, to collect bands charges for selected energy range or chosen 
k-points set.
This is very crude program, tested only on the cases I was interested, 
but it can give you the overall idea how to get informations you are 
interested in.
If you want a source code, please write an e-mail to my private address.

Regards,
Andrzej Kolezynski
-------------------------------------------
AGH University of Science and Technology
Faculty of Materials Science and Ceramics
Al. Mickiewicza 30, 30059 Krakow, Poland
Phone:  +48 12 617 40 43
Fax:    +48 12 633 1593
E-mail: andrze.kolezynski at agh.edu.pl
-------------------------------------------

> Hi WIEN users,
> 
> Does anyone know
> Is there a way to obtain the charge density contribution from each band 
> separately for a given energy interval? or for a given set of k-points?
> 
> Thanks in advance.
> 
> Armando Reyes
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 
>