QuantumATK Forum
Welcome,
Guest
. Please
login
or
register
.
Did you miss your
activation email
?
1 Hour
1 Day
1 Week
1 Month
Forever
Login with username, password and session length
News:
QuantumATK W-2024.09 version released on Sep 9, 2024
Home
Help
Search
Login
Register
QuantumATK Forum
»
QuantumATK
»
General Questions and Answers
»
Interface of two cell with different cell sizes
« previous
next »
Print
Pages: [
1
]
Go Down
Author
Topic: Interface of two cell with different cell sizes (Read 2549 times)
0 Members and 1 Guest are viewing this topic.
shivgy
Regular QuantumATK user
Posts: 11
Country:
Reputation: 0
Interface of two cell with different cell sizes
«
on:
November 27, 2014, 03:01 »
I want to interface two cell with different cell sizes. Lets consider the cell sizes be 5.43 x 5.43 x 5.43 Å3, and 3.84 x 5.43 x 3.84 Å3 ( as given in tutorial :
http://www.quantumwise.com/publications/tutorials/item/834-calculating-interfacial-thermal-conductance-using-molecular-dynamics
) how do I know the repetition parameter which makes them of equal cell size.
Thank you
Logged
Umberto Martinez
Supreme QuantumATK Wizard
Posts: 479
Country:
Reputation: 26
Re: Interface of two cell with different cell sizes
«
Reply #1 on:
November 27, 2014, 11:46 »
From the Builder, use the Builders->Interface Tools.
Drag and drop the two structures to the first and second windows of the plugin.
If you then click on Select Surface Cells you will be able to select the cells you wish.
Logged
Print
Pages: [
1
]
Go Up
« previous
next »
QuantumATK Forum
»
QuantumATK
»
General Questions and Answers
»
Interface of two cell with different cell sizes