Index of /espresso_v6.1/i386_linux26/qe-6.1/upftools/HGH2QE

      Name                    Last modified       Size  Description


[DIR] Parent Directory        17-May-2017 16:16      -  
[TXT] hgh2qe.f90              03-Mar-2017 01:47    25k  
[TXT] lininterpol.f90         03-Mar-2017 01:47     3k  

---$$$$$   HGH/NLCC to UPF Conversion  $$$$$---

This program is for conversion of HGH/NLCC pseudopotential to
UPF format to be used in Quantum Espresso

Since the psp file of the elements do not have the rhoatom values
you have to provide the values as a separate file from which it is 
interpolated.Hence,at present the value is provided from the already
existing files in the QE website.

How to use it:-
1) Compile  hgh2qe.f90 and  lininterpol.f90 together

> gfortran hgh2qe.f90 lininterpol.f90

2) Copy the psppar file psppar.<element> to psppar
> cp pspp.file psppar

3) Copy the rhoatom (4 columns) from the website to rhoatom.dat
> cp rhoatom_file rhoatom.dat

4) Execute the executible
> ./a.out | tee OUT_FILE

Santanu and Stefan