[Pw_forum] charge density vizualization using xcrysden

Joshua Davis davis101 at chemistry.msu.edu
Sun Aug 21 20:14:50 CEST 2016


VESTA can read the xcrysden grid file, as well

On Sun, Aug 21, 2016 at 12:36 PM Arles V. Gil Rebaza <arvifis at gmail.com>
wrote:

> Hi, if you have a .cube file, you can use VMD, to have very nice picture.!
>
> Best
>
> A.V. Gil Rebaza
> IFLP - Argentina
>
> 2016-08-21 12:47 GMT-03:00 Manu Hegde <mhegde at uwaterloo.ca>:
>
>> Hello,
>> Xcrysden does a good job, I think there is some example (look in PP
>> folder) on how to code charge density using gnuplot.
>>
>> On Sun, Aug 21, 2016 at 11:38 AM, Uri Argaman <argamanu at post.bgu.ac.il>
>> wrote:
>>
>>> Dear QE users and devalopers
>>> I visualize charge density in three dimensions but I do not succeed to
>>> show only a part of the unit cell using xcrysden (I do the calculation for
>>> large unit cell). I can do that using xcrysden or I need other
>>> visualization tool? In case it cannot be done using xcrysden, which
>>> visualization tool is recommended for 3d charge density?
>>> Thank you very much
>>> Uri Argaman
>>> Ben-Gurion University
>>> Israel
>>>
>>>
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>>
>>
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>
>
>
> --
> ###--------->   Arles V.   <---------###
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