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

From: "Anglade Pierre-Matthieu" <anglade@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] How can I patching USPP on my Debian SID box with gcc/gfortran?
Date: Mon, 9 Apr 2007 13:27:08 +0200
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Hi,

1) What exactly is going wrong when you follow the instructions on the
URL you give ? Do you get some error messages when you do not edit the
Makefile ? Basically what you have to do with such Make file is to set
the fortran compiler name and options. that's all. have you tryed this
?
2) Beware with the use of GCC 4.1.x for fortran 90 (and later)
compilations. Prefer using g95 or GCC 4.2.x. All the more as
pseudopotential generation is not compute intensive making g95
perfectly suitable.
3) P. Boulanger told me that you may get some pretty unphysical
results using uspp to create PAW pseudopotentials. So beware.
regards

PMA

On 4/9/07, Hongyi Zhao <hongyi.zhao@gmail.com> wrote:

Dear Abinit Users,

Now, I want to build my own PAW atomic data for Abinit using D. Vanderbilt
ultrasoft pseudopotentials generator (USPP), following the instructions
on the URL:

http://www.abinit.org/PAW/USpp2Abinit-Manual-html/USppPAW.htm

In my case , the operating system is Debian SID, and the compiler is *gcc
version 4.1.2 20061115 (prerelease) (Debian 4.1.1-21)*, who can tell me
how can I revise the makefile of Uspp2Abinit so that it can be made to
patch the USPP?

Thanks in advance.

---
Hongyi Zhao (赵弘毅)
GnuPG DSA: 0xD108493B

老子道德经：第七十九章
有德司契，无德司彻。
天道无亲，常与善人。

--
Pierre-Matthieu Anglade

How can I patching USPP on my Debian SID box with gcc/gfortran?, Hongyi Zhao, 04/09/2007
- Re: [abinit-forum] How can I patching USPP on my Debian SID box with gcc/gfortran?, Anglade Pierre-Matthieu, 04/09/2007
  - Re: [abinit-forum] How can I patching USPP on my Debian SID box with gcc/gfortran?, Hongyi Zhao, 04/09/2007
    - Re: [abinit-forum] How can I patching USPP on my Debian SID box with gcc/gfortran?, Anglade Pierre-Matthieu, 04/09/2007
      - Re: [abinit-forum] How can I patching USPP on my Debian SID box with gcc/gfortran?, Hongyi Zhao, 04/10/2007