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[abinit-forum] Manul of J.L. Martins pseudopotentials generator and Martins2Abinit tool


Chronological Thread 
  • From: "Zhenhua Zeng" <myid520@163.com>
  • To: forum <forum@abinit.org>
  • Subject: [abinit-forum] Manul of J.L. Martins pseudopotentials generator and Martins2Abinit tool
  • Date: Thu, 18 Dec 2008 14:23:33 +0800

Hi Marc and Matthieu,

I want to use Martins2Abinit tool to general SPIN_ORBIT Troullier-Martins
pseudopotentials,
However I can find a manul of J.L. Martins pseudopotentials generator.

The INSTALL file suggest readding the mainn program and input.f. (I don't
read the main program yet. )
For input.f, it is routine as following:
subroutine
input(itype,ikerk,icorr,ispp,zsh,rsh,nr,a,b,r,rab,nameat,norb,ncore,no,lo,so,zo,znuc,zel,evi)
i.e. many parameters in there, but just several of them are commentted in the
files.
So I think it is not easy to rely just on the input.f

README file provide two web sites for pseudopotentials generator :
http://bohr.inesc-mn.pt/~jlm/pseudo.html
and
http://aloof.cii.fc.ul.pt/AGI/table.html
However I find both are not accessed.

Marc, I think you may be in charge potential part of code.
Mattieu, I know you have experience in the generating of SPIN_ORBIT
Troullier-Martins pseudopotentials.

Do you have have manual for the general of J.L. Martins pseudopotentials?

Your help are greatly appreciated!

Best Wishes
Zhenhua Zeng




  • [abinit-forum] Manul of J.L. Martins pseudopotentials generator and Martins2Abinit tool, Zhenhua Zeng, 12/18/2008

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