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  • From: kxyhu@yahoo.com.cn
  • To: forum@abinit.org
  • Subject: distortion
  • Date: Thu, 18 Sep 2003 17:39:52 +0200

Hello,

During I calculate the total energy of the distorted system ,namely the atoms
depart from their balanceable positions . the magnitude
of the distortion is equal,the sign is oppositional.The total energy of the
plus distortion is equal to the total energy of the minus distortion.
Is the result correct? I think there should be small difference .

Thank you,
hu


  • distortion, kxyhu, 09/18/2003

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