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- From: PAOLA JARAMILLO <paolajc@eden.rutgers.edu>
- To: forum@abinit.org
- Subject: carbon nanotubes in abinit
- Date: Sat, 2 Sep 2006 00:52:04 -0400 (EDT)
I am trying to determine the total energy of carbon nanotubes; however is it possible to simulate this one dimensional structure succesfully in abinit? I cannot run the code since it gives me an error when defining the unit cell with the following input:
acell 0.0000 0.0000 2.4422
angdeg 0.0000 0.0000 90.000
Please help. Thank you
Paola Jaramillo
Graduate Student
Mechanical & Aerospace Engineering
Center for Structures in eXtreme Environments
- Re: [abinit-forum] Question about running bug in PAW method, Natalie Holzwarth, 09/01/2006
- <Possible follow-up(s)>
- Re: Re: [abinit-forum] Question about running bug in PAW method, zhangtingPKU, 09/01/2006
- Re: Re: [abinit-forum] Question about running bug in PAW method, Natalie Holzwarth, 09/01/2006
- Re: [abinit-forum] Question about running bug in PAW method, Xavier Gonze, 09/01/2006
- carbon nanotubes in abinit, PAOLA JARAMILLO, 09/02/2006
- Re: [abinit-forum] carbon nanotubes in abinit, 张�s, 09/02/2006
- Re: [abinit-forum] carbon nanotubes in abinit, 张�s, 09/02/2006
- carbon nanotubes in abinit, PAOLA JARAMILLO, 09/02/2006
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