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Re: [abinit-forum] pseudo


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  • From: mmikami@rc.m-kagaku.co.jp
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] pseudo
  • Date: Tue, 18 Nov 2003 10:25:48 +0900

Hello,

Could you read the following in the FAQ ?
http://www.abinit.org/ABINIT/Infos/FAQ.htm#newbie_ABINIT
Once you have gone through the Tutorial and the Test_*,
you will find answers to your questions.
"The more haste, the less speed." So, you can take your time ...

Good continuation !
Masayoshi

On 2003.11.18, at 01:44 Asia/Tokyo, ariesto@physik.rwth-aachen.de wrote:

dear All
I am a new comer in abinit, I have 2 basic questions:

1.How do we determine the of value of acell and rprim
2. for compound which consist of more than one
elements and each element has more than one atom,
for example:A3B2C3. How do we write xcart or xred in
input file and pseudopotensial in files file to make
it match (psedopotensial A for element A, etc) ?

thank



  • Re: [abinit-forum] pseudo, mmikami, 11/18/2003

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