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  • From: "Amancherla, Sundar \(CORP, GEITC\)" <Sundar.Amancherla@geind.ge.com>
  • To: <forum@abinit.org>
  • Subject: PAW Questions
  • Date: Thu, 15 Jan 2004 13:41:00 +0530
  • Importance: high
  • Priority: Urgent

Dear All -

I have a quick question on the PAW implementation of ABINIT.

1. Is there any example file to go through in the list of tests?

2. Can I use the files already present in the
http://www.abinit.org/ABINIT/Psps/PAW (it says for versions > 4.2.1) with
4.1.4?

3. If I use the PAW pseudo potential file generated from USPP2Abinit utility,
OR from the peroidic table links above mentioned, what might be the typical
ranges of "ecut" and the typical CPU times (an example) compared with the
norm-conserved Psps?

Thanks very much in advance

Best,
--
Aman


  • PAW Questions, Amancherla, Sundar \(CORP, GEITC\), 01/15/2004

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