[Pw_forum] I need norm conserving pseudopotetial for Zinc that can work with pwscf

[bamidele ibrahim]

Dear Liu,
  I have downloaded the .fhi file from abinit pseudopotential site, and i used the command given by you as follows;

   ./fhi2upf.x /home/adetunji/Desktop/30-Zn.LDA.fhi 

after the command, here is the result of the process.
read_fhi: assuming abinit format
Pseudopotential without NLCC successfully read
Wavefunction # 1: label, occupancy > 

please, what is the next step.


Adetunji Bamidele Ibrahim

Department of physics,University of Agriculture,

Abeokuta, Ogun State,Nigeria.

--- On Sat, 7/9/11, gbliu <goodluck_1982 at 163.com> wrote:

From: gbliu <goodluck_1982 at 163.com>
Subject: Re: [Pw_forum] I need norm conserving pseudopotetial for Zinc that can work with pwscf
To: "PWSCF Forum" <pw_forum at pwscf.org>
Date: Saturday, July 9, 2011, 6:32 AM



  

    
  

    You can use pp file of ABINIT, then use upftools/fhi2upf.x to covert
    the .fhi file to .upf file.

    

    Best wishes,

    Liu Gui-Bin

    Dept. Physics, HKU

    

    于 2011/7/9 6:08, bamidele ibrahim 写道:
    
      
        
          
            

              Dear all,

                I needed to run epsilo.x to get optical properties, but
              the pseudopotentials available on the QE page for Zinc has
              no norm conserving pseudopotential. So, i will appreciate
              it if an assistance can come from anybody from the forum.
              Also, if there is a way to make epsilo.x recognised the
              USPP. Kindly put me through.

              

              Thanks

               

              Adetunji Bamidele Ibrahim

              Department of physics,University of Agriculture,

              Abeokuta, Ogun State,Nigeria.
          
        
      
      
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