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Re: [abinit-forum] Pseudopotentials for the ABINIT code


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  • From: Alain Jacques <ajs.jacques@gmail.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Pseudopotentials for the ABINIT code
  • Date: Sat, 03 Apr 2010 13:13:12 +0200
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Hello Bahattin,

I tested again after reading your message both with Firefox and Safari - I flushed my browser cache to be sure not to recall saved data
If I click on the Pb on the mentioned page, I obtain ...

Troullier-Martins psp for element  Pb        Thu Oct 27 17:59:53 EDT 1994
  82.00000   4.00000    940714                zatom, zion, pspdat
    1    1    2    0      2001    .00000      pspcod,pspxc,lmax,lloc,mmax,r2well
    0  10.134  14.934    0   1.9266159        l,e99.0,e99.9,nproj,rcpsp
    .00000000    .0000000000    .0000000000    .00000000   rms,ekb1,ekb2,epsatm
    1   4.151   6.482    1   2.3827805        l,e99.0,e99.9,nproj,rcpsp
    .00000000    .0000000000    .0000000000    .00000000   rms,ekb1,ekb2,epsatm
    2    .951   1.465    1   3.9285604        l,e99.0,e99.9,nproj,rcpsp
    .00000000    .0000000000    .0000000000    .00000000   rms,ekb1,ekb2,epsatm
    3.27471883846610     .11602098734807    3.55554021522496   rchrg,fchrg,qchrg
    0 =l for Troullier-Martins pseudopotential
   1.6366057386786041E+00   1.6366057386786039E+00   1.6366057386786037E+00
   1.6366057386786037E+00   1.6366057386786033E+00   1.6366057386786033E+00
   1.6366057386786030E+00   1.6366057386786028E+00   1.6366057386786022E+00
and so on ...

Sorry I have no obvious clue about what's going wrong with your downloading attempts. Would it be possible that your browser doesn't initiate a ftp request (look at your proxy settings if your site requests to use one)? So If you access the repository with "plain" terminal tools like wget or curl, you should retrieve the same file. A "wget ftp://ftp.abinit.org/pub/abinitio/Psps/LDA_TM.psps/82/82pb.pspnc" should download the Pb pseudo file in the current directory.

Thanks for your feedback. Others experiencing similar problems?

Kind regards,

Alain



On 4/3/10 9:56 AM, bahattinerdinc@yyu.edu.tr wrote:
1321.10.200.0.246.1270281385.squirrel@posta.yyu.edu.tr" type="cite">
Hello Alain,

I am not downloading pseudos from the
http://www.abinit.org/downloads/psp-links/psp-links/lda_tm. I checked all
the links but the all I tested are negative. For instance; Pb, I, Cr, Br,
F ....

Bahattin
  




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