ABINIT Discussion Forums

Dear abinit users,
I am trying to plot the band structure of Graphene nanoribbon. but it gives me this error message:
inread : ERROR -
Attempted to read ndig= 7 floating point digits,
from string(1:ndig) TOLWFR2, to initialize a floating variable.

inread : WARNING -
Note that this string contains the letter O.
It is likely that this letter should be replaced by the number 0.

inarray :
An error occurred reading data for keyword " KPTBOUNDS2",
looking for 12 array elements.

inarray : ERROR -
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 !

Does anyone know what's the problem?
I have attached my input file. Thank you in advance.

Cherry

Hi,

The first hint to your problem is the error message :

It means the code seeks to read 12 floats from kptbounds2, yet you provide only 9:

This happens because you ask the code to compute the band structure along 3 segments by asking :

while, in fact, it looks like you only want to compute along 2 segments. This means kptopt2 should be set to -2 in your case and the problem would be solved.

Still, I am wondering why you want the band structure along 2 segments which are the same :

Your will just double your computing time without any additional gain. Maybe you should use only one segments for your band structure or correct your M point.

Good luck!