Questions tagged [visualization-software]
Questions regarding the various types of visualization software for materials modeling.
106 questions
5 votes
1 answer
203 views
Is there any tool/software that can directly visualize Z-matrix format?
If we want to visualize Z-matrix style molecule in tools like PyMol, we have to convert it into 'xyz' format first. is there any tool/software that can directly visualize Z-matrix format? Anything ...
- 323
2 votes
0 answers
58 views
How can i plot the Charge-Density with only the VASP "OUTPUT" file
My cluster is down for maintenance and I can't see any of my files at the moment. I have the pure system of my material as well as the relaxed structures for it with various defects. Once my external ...
- 163
7 votes
3 answers
767 views
Programs for file transfer/visualization between remote cluster and laptop
I understand there have been many questions asked about what software to use to view your output data. I am more interested in programs that allow simpler transportation of files from my remote ...
- 163
4 votes
0 answers
79 views
Periodic crystal editors and visualizer
I'm trying to find a visualizer and editor for my periodic crystals (in .cif format) for my tasks. I have used VESTA before and now to view the periodic structure, but I need an editing functionality (...
- 81
3 votes
1 answer
154 views
How to visualize SIESTA relaxation output?
After a structural relaxation calculation using SIESTA, I want to visualize (like a GIF animation or a video) the ionic coordinate and/or cell structure relaxation. I can visualize a single structure ...
- 4,931
2 votes
0 answers
281 views
How to visualize geometry optimization using VESTA?
Using XCrySDen, I can generate animation in GIF/MP4 format from the Quantum ESPRESSO relaxation calculation output (as shown below). I know it is also possible through ASE to visualize the BFGS ...
- 4,931
5 votes
0 answers
80 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
6 votes
2 answers
439 views
Exploring Band Structure and Density of States Visualization Tools for VASP Calculations
I'm currently working with VASP and need recommendations for the best tools to effectively plot band structures and density of states obtained from VASP calculations. Could you please share your ...
- 781