ABINIT Discussion Forums

Dear Sir,
I am trying to run calculations on a Graphene sheet of say 128 atoms (Please find attached the sample file). Its dimensions are 8 X 8 Angstroms. I am making it in Avogadro and adding vacuum of 5 Ang. My ABINIT installed correctly. But while running the program, I get this error:

--- !ERROR
message: |
It is observed in the input file: /home/sid/Desktop/Untitled/NEW/21 line number 161,
that more than 132 columns are used.
This is not allowed. Change this line of your input file.


Please tell me what wrong am I doing? I would be happy if you could throw light on this. Sir, is it that I have to add a reduced cell as input? Please guide me. I would be glad if you could send me a corrected i/p file.

The error message is already self-explanatory: your input file contains lines that are too long.
Edit the input file and change all the lines that are longer than 132 characters.

Dear Sir,
I tried doing the below:

typat 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1

But I got the error:
--- !ERROR
message: |
There is a problem with the input file : maybe
a disagreement between the declared dimension of the array,
and the number of data actually provided.
Action : correct your input file !
src_file: inarray.F90
src_line: 191
...

I would be glad if you could provide me an edited i/p file. I am totallt new to ABINIT. It will take sometime for me to get used to it.