The ABINIT Users Mailing List ( CLOSED )

["Razvan Caracas" <r.caracas@gl.ciw.edu>]

From the anaddb help file:

 "moldyn" is a fake name (formerly used for harmonic molecular dynamics
analysis - not used in the present version).

The same help files says:
eivec 3 => write the phonon eigenvectors, in the lwf-formatted file;
In this case, the eigenvectors are written in this moldyn file. So you
need eivec 3 in order to obtain such a file. Be careful, the ascii file
thus generated can be quite big. The moldyn is for lwf, like *DDB is for
anaddb.
Also, be aware that lwf is under debugging, and as far as I know most
probably won't be fully operational in the near future.

Regards,
Razvan



> Dear all users:
> i want to use the anaddb software. in the anaddb.files, there is four
> files:
> anaddb.in
>   anaddb.out
>   ddb
>   moldyn
>  but i don't know how to get the moldyn for the material. please tell me
> how to get moldyn, i appreciate your help!
>
>
> Regards
>
>
>                                                             zhuzhenye
>


-- 
%3D==============================================
Dr. Razvan Caracas
Postdoctoral Fellow
Carnegie Insitution of Washington,
Geophysical Laboratory,
5251 Broad Branch Rd. N.W.,
Washington DC 20015, USA
tel: 1-202-478-8945; fax: 1-202-478-8901