error in IdVg Calculation

[chitrapandy]

Hi,

While calculating IdVg I got this error.
Please help me to understand and solve this error.
Calculating Eigenvalues    : ==================================================

** Back Engine Exception: More electrons than states to distribute them over.
** Location of Exception : occupationutilities.cpp:443

I have attached the py script and error log file for the reference.
Thank you

[sonal AGRAWAL]

I am also facing same problem

[Troels-Markussen]

Hi, I think the problem is in your python script:

Code

# Add external potential
external_potential = AtomicCompensationCharge([
    ('doping_0', 0.0168772635404),
    ('doping_1', 1.66714432533e+98)
    ])

Clearly, something is wrong for the 'doping_1' value. Regards, Troels

[chitrapandy]

Hi

Thank you for the clarification.

Regards
Chitra