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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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