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Questions tagged [software-assistance]

Questions asking for assistance with the use or compilation of a software.

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4 votes
0 answers
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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 ...
Jaafar Mehrez's user avatar
4 votes
0 answers
342 views

Why VESTA displays much more atoms beyond the cell boundaries?

I was trying to follow this recipe, NanoCrystal / Graphene Heterostructure in VESTA step by step but instead of an Au nanocrystal, I put a small graphene nanoflake approximately 3.35 Å on top of ...
Vladislav Gladkikh's user avatar
3 votes
0 answers
73 views

Installing Material Studio on Linux (CentOs cluster) for a non-root user

I am a beginner and want to install Material Studio in CentOs (version 7) cluster. Is there anyone have detailed tutorial or information for installing Material Studio in linux? My tries: I used ...
Martin's user avatar
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2 votes
0 answers
34 views

How to install and run daltonproject with dalton project?

I have downloaded and installed daltonproject as well as dalton program but when I try to run a script through Python I got this error: ...
diamond999's user avatar
2 votes
0 answers
30 views

Reactor design DCPLS parapmeter

I have the following error in the design of reactor in Aspen+. How can I solve this issue
Laman Alipashayeva's user avatar
2 votes
0 answers
41 views

How to compile VASP for non-colinear calculations?

How to compile VASP for non-colinear calculations? How to compile VASP without the flag -DNGXhalf and -DNGZhalf?
sangeeta's user avatar
1 vote
0 answers
18 views

Removing "say XYZ.PRF:" name in winplotr in Fullprof?

I am facing difficulty on removing text like XYZ.PRF:, when we run fullprof in External applications in WinPLOTR. Is there some way to remove it?
Anshul Sharma's user avatar