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carbon nanotubes in abinit


Chronological Thread 
  • 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





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