How to initialize (how to convert abinit to yambo)

[Marzieh]

Hi,
I am a abinit user. I am going to use Yambo. I did not find any documents or pages which you explained how to do. I see just this command a2y.
I do not know which file I should launch a2y on. Do I set configuration before any doing?
could you please tell me step by step.
Best,
Mazieh

[Davide Sangalli]

Dear Marzieh,
to use a2y interface:

Compile abint with netcdf support, (I think, not sure, version 8.10 at least)

Code: Select all

    --with-trio-flavor="netcdf"

in the abinit input file set

Code: Select all

iomod 3
prtkbff 1

Abinit should produce the WFK.nc files, which you can convert with

Code: Select all

a2y -F WFK.nc

In case also

Code: Select all

--enable-mpi-io --enable-netcdf-default

are used when compiling abinit, then

Code: Select all

iomod 3

should not be needed

Best,
D.

P.S.: Please add your signature. It is a rule of the forum

[Marzieh]

Dear Davide,

Thanks for your useful reply.

Marzieh Ghoohestani, PhD

Institute of Condensed Matter and Nanosciences,
Université Catholique de Louvain,
8 Chemin des étoiles, 1348 Louvain-la-Neuve, Belgium
https://uclouvain.be/en/directories/marzieh.ghoohestani