[Pw_forum] hgh to UPF

[Carsten]

>On Sep 20, 2011, at 14:22 , giacsport at libero.it wrote:
>
>> Is there a .hgh to .UPF pseudo converter?

> the answer to all questions like "is there a converter from
> format X to .UPF" is invariably "if it is not mentioned, there
> isn't any, and you are welcome to contribute one"
> (something that nobody ever does). However ...
>
> Recently the cpmd2upf converter has been extended to HGH
> pseudopotentials. The conversion works by projecting onto
> a radial logarithmic grid, so it may introduce minor numerical
> differences  wrt CPMD results. From the first tests, differences
> seem to be sufficiently small and should not affect the physics
> (or the chemistry). The new converter is available in the SVN
> version of QE: see http://qe-forge.org/scm/?group_id=10
>
> After conversion, it is convenient to generate the atomic
> (pseudo-)orbitals using code ld1.x. Attached is an example
> of ld1.x input for Zr: it reads the converted file Zr-q12.UPF,
> and (among other things) produces an output UPF file Zr.wfc.UPF,
> containing (pseudo-)orbitals and (pseudo-)charge density. You can
> directly use the latter file, but I prefer to replace the <PP_PSWFC>
> and <PP_RHOATOM> fields in the converted file with those of
> the output UPF file. You will need to edit the "number_of_wfc"
> field as well. Please carefully check if everything is working properly!
>
> P.
>
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>
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>

i'm trying to convert a couple of .hgh pseudopotential files to upf2
format using upftools/cpmd2upf.
i understand that i need to setup a input file that contains the
filename of the hgh. could someone point me to any documentation about
cpmd2upf and a working example? that would be most helpful.

Thank you very much in advance,