The ABINIT Users Mailing List ( CLOSED )

[Quan Phung Manh <manhquank9@gmail.com>]

Dear Mr Aurélien Lherbier

Thank you for your advice. It works.

Regards,

Quan Phung

2009/10/14 Aurélien Lherbier <aurelien.lherbier@uclouvain.be>

Hello,

I've encountered the same problem before, it seems that cut3d is not able to correctly generate a NetCDF file (readable by V_Sim) from the traditional binary output file.

Since I remember a solution which works is to add the following line in you abinit input file:
  accesswff 3
which force the code to directly produce output files which are ETSF formatted (*-etsf.nc), so you don't need anymore to use cut3d.
Then your density file *.nc will contains atomic positions informations and also density informations.
To see density with V_Sim, you just then need to type the command:

v_sim -f toto_DEN-etsf.nc toto_DEN-etsf.nc

The file is called two times because it contains the positions as well as the density.
PS: Don't forget that you also need to configure V_Sim with the flag  "--with-etsf-file-format"

Hope it helps.

Regards,
Aurélien Lherbier

Quan Phung Manh wrote:

Dear Abinit users

Using cut3d, I can generate NetCDF file from density file. But I can't read that *.nc file by V-sim. I saw that V-sim can read -etsf.nc and .nc extensions. So is cut3d compatible with V-sim? How can I read density file using V-sim?

Best regards.

Quan Phung Manh