The ABINIT Users Mailing List ( CLOSED )

[Scott Beckman <spbeckman@gmail.com>]

You can use multipliers such as:

typat 16*1 12*2

for a cell containing of 16 of type 1 and 12 of type 2

I also believe that a carriage return will work

typat 1 1 1 1 1 1
1 1 1 2 3 3 3 3 3

I've not tried this for typat, but it does work for entering values for 
the iatfix variable.

Scott

On May 16, 2006, at 2:46 AM, Bohdan Andriyevsky wrote:

> Dear Abinit Users,
> I have the crystal with 74 atoms of triclinic spgroup=1 (I would like 
> to
> perform optimization of the 37-atoms monoclinic crystal of spgroup=4
> with external pressure). So, the line with 'typat' of my input file
> possesses 154 columns, and the error communication in the 'log' file
> appears (no more 132 columns are permissible in one line). Please,
> advise me how to write correctly this position in the input file.
>
> Regards,
> B. Andriyevsky