All Questions
Tagged with atomic-simulation-environment visualization-software
7 questions
5
votes
0
answers
41
views
Rich editing of ASE images
I want to produce some images related to graphene-like materials.
I was able to draw them using ASE visualize module after constructing the atomistic model. However ...
- 51
4
votes
0
answers
180
views
How to Change the Color Palette of Atoms in ASE GUI
I know that there is a configuration file called gui.py that would be initialized if it is placed in a directory like ...
- 3,770
2
votes
1
answer
157
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Visualizing magnetic moments of Quantum espresso input/output files
I am looking for a software/website that can visualize atomic structure of my quantum espresso input/output files with magnetic moments. Any help will be highly appreciated.
Thanks in advance!
- 153
5
votes
2
answers
264
views
ASE: How to plot the irreducible Brillouin zone and this bandpath from a bandpath object
I am using ASE (Atomic Simulation Environment) for theoretical chemistry and I see an option to plot the irreducible Brillouin zone and this bandpath but I can't figure out how. I'm not a programmer.
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- 61
5
votes
1
answer
1k
views
Visualise bonds in ASE
I want to visualize an MD trajectory produced with ASE.
ase.visualize.view produces an output for atoms and trajectories. I am not able to show the bonds between atoms.
For atoms, I can use this in ...
- 699
8
votes
1
answer
1k
views
Is there a free software for modeling and graphical visualization crystals with defects?
At real situation, it can happen, that a crystal can have defects, for instance, some of them are point defects — Schottky, Frenkel defects, line defects — dislocations, planar defects — grain ...
- 1,027
5
votes
0
answers
632
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Atomic Simulation Environment (ASE) is unable to read a big trajectory file [closed]
The problem that I face is the ASE software can't read the trajectory file and throws this error ValueError: buffer is smaller than requested size. My assumption is ...
- 999