Questions tagged [materials-studio]

Questions about or related to Materials Studio (the software distributed by BIOBIA).

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4 votes
1 answer

Help with Geometry Optimization in CASTEP

I am a beginner in CASTEP simulation and I need some guidance on the general steps for geometry optimization. I have tried the following three approaches: (1) Build unit cell > geometry ...
Minhaz Mahmood's user avatar
2 votes
0 answers

Frequency calculation using Quantum Espresso

I want to calculate the frequency using quantum espresso. How can I get the input file of frequency calculation using QE? ...
Boka Fikadu Banti's user avatar
1 vote
0 answers

How to allocate the correct charge in Materials Studio [closed]

I tried to use the sorption module in materials studio to study the adsorption isotherm of carbon dioxide on FUA zeolite with a silicon aluminum ratio of 1:1. FUA zeolite has balanced its charge by ...
吳海濱's user avatar
3 votes
0 answers

How may I define the pressures of two sides of a membrane in Materials Studio? [closed]

To study SiO2, polyamide and two-layer SiO2-polyamide as the membranes in the reverse osmosis desalination of saline water; I used the Materials Studio software to model the systems. My question is: ...
Khadijeh Kalateh's user avatar
7 votes
1 answer

How could I know the numbers of different atoms in Materials Studio?

I am building a model in the Materials Studio which includes many atoms, so I'd like to count the number of different atoms, is there any way to do that?
Jack's user avatar
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