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
»
silicene armchair nanoribbon
« previous
next »
Print
Pages: [
1
]
Go Down
Author
Topic: silicene armchair nanoribbon (Read 3406 times)
0 Members and 1 Guest are viewing this topic.
Ashley.amanta@gmail.com
Regular QuantumATK user
Posts: 11
Country:
Reputation: 0
silicene armchair nanoribbon
«
on:
July 5, 2017, 11:04 »
Hi
I designed and relaxed silicene armchair nanoribbon,first structure is buckl but after relaxation the structure is not buckl (I attach parameters and structure befor and after relax) ,please tell me what the problem is?
thank you
Logged
Ashley.amanta@gmail.com
Regular QuantumATK user
Posts: 11
Country:
Reputation: 0
Re: silicene armchair nanoribbon
«
Reply #1 on:
July 5, 2017, 11:14 »
structure befor and after relax...
Logged
Petr Khomyakov
QuantumATK Staff
Supreme QuantumATK Wizard
Posts: 1290
Country:
Reputation: 25
Re: silicene armchair nanoribbon
«
Reply #2 on:
July 5, 2017, 17:28 »
Maybe the nanoribbon should not be buckled, and the geometry optimizer has actually predicted it. What makes you believe that it must be buckled?
Logged
Petr Khomyakov
QuantumATK Staff
Supreme QuantumATK Wizard
Posts: 1290
Country:
Reputation: 25
Re: silicene armchair nanoribbon
«
Reply #3 on:
July 5, 2017, 19:14 »
A silicene sheet or silicene nanoribbon should be buckled? Your system is a narrow ribbon, it is not obvious at all that it is to be buckled as well as an infinite 2D structure.
Logged
Petr Khomyakov
QuantumATK Staff
Supreme QuantumATK Wizard
Posts: 1290
Country:
Reputation: 25
Re: silicene armchair nanoribbon
«
Reply #4 on:
July 5, 2017, 20:47 »
I am not saying that a silicene sheet is not buckled. The question is whether the unsupported narrow ribbon is also buckled; the tutorial does not consider the nanoribbon case, and the forum discussion is not very conclusive on that matter.
Logged
Print
Pages: [
1
]
Go Up
« previous
next »
QuantumATK Forum
»
QuantumATK
»
General Questions and Answers
»
silicene armchair nanoribbon