[Pw_forum] charge density vizualization using xcrysden

Joshua Davis davis101 at chemistry.msu.edu
Sun Aug 21 20:15:43 CEST 2016


VESTA can read the xcrysden grid file, as well

Joshua Davis
Michigan State University - Chemistry Dept.

On Sun, Aug 21, 2016 at 2:14 PM Joshua Davis <davis101 at chemistry.msu.edu>
wrote:

> 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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>>
>>
>>
>> --
>> ###--------->   Arles V.   <---------###
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