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Re: Re: [abinit-forum] How can I patching USPP on my Debian SID box with gcc/gfortran?

From: "Hongyi Zhao" <hongyi.zhao@gmail.com>
To: forum@abinit.org
Subject: Re: Re: [abinit-forum] How can I patching USPP on my Debian SID box with gcc/gfortran?
Date: Tue, 10 Apr 2007 15:57:41 +0800
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Thans a lot!

2007/4/10, paul.boulanger@umontreal.ca <paul.boulanger@umontreal.ca>:

Hi,

I inspected your error message and I found that you use an older version of the USpp2abinit patch then mine, you are using version 1.8.2 while I have the 2.1.3. I got this version directly from Marc Torrent because of bugs and compiler sensitve materials in the previous versions.

I will send you directly this version with my Makefile, it compiled fine on my laptop. A last warning, I found that uspp can generate bad pseudopotentials when you use non-linear core corrections. This is probably due to a lack of basis states for the pseudo-core, we are using ultra-soft pseudopotentials as starting point after all. Marc Torrent as suggested using AtomPaw to circumvent this problem.

Best of luck,

Paul

Re: Re: [abinit-forum] How can I patching USPP on my Debian SID box with gcc/gfortran?, paul . boulanger, 04/10/2007
- Re: Re: [abinit-forum] How can I patching USPP on my Debian SID box with gcc/gfortran?, Hongyi Zhao, 04/10/2007
  - Pseudopotentials, Paul Fons, 04/10/2007
    - Re: [abinit-forum] Pseudopotentials, Guillaume Dumont, 04/10/2007
      - Re: [abinit-forum] Pseudopotentials -- Ga, snow9, 04/13/2007
        
        Re: [abinit-forum] Pseudopotentials -- Ga, paul fons, 04/13/2007
        
        Re: [abinit-forum] Pseudopotentials -- Ga, Guillaume Dumont, 04/13/2007
        
        Re: [abinit-forum] Pseudopotentials, Natalie Holzwarth, 04/16/2007
        
        Re: [abinit-forum] Pseudopotentials, Paul Fons, 04/16/2007
        Re: [abinit-forum] Pseudopotentials, Natalie Holzwarth, 04/17/2007
        Re: [abinit-forum] Pseudopotentials, paul fons, 04/18/2007
    - Re: [abinit-forum] Pseudopotentials, Pascal Rausch, 04/10/2007