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Can the charge density of each element be read direcitly from Abinit?


Chronological Thread 
  • From: liuyudong97@mails.tsinghua.edu.cn
  • To: forum@abinit.org
  • Subject: Can the charge density of each element be read direcitly from Abinit?
  • Date: Wed, 30 Jun 2004 15:05:25 +0200

Dears all:
I wish to know the charge density of an isolated atom, namely the atoms are
infinite far from each other.
I guess that Abinit must have such a database of charge density for each
element, because the command "densty " CAN give "a rough description of the
initial GS density, for each type of atom" .
Is it possible to get the charge density of an isolated atom for each element
without any SCF calculation?
1)If yes, how to read out the data?
2)If no, it is necessary to setup a big supercell to get charge density of
one atoms by simulating the lesson 1 of Abinit Tutorial?
Hopefully wish the first case is possible.

ps.
by the way, who knows the charge desnity file can be read by software named
AVS?


thank you very much


  • Can the charge density of each element be read direcitly from Abinit?, liuyudong97, 06/30/2004

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