QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: chitrapandy on June 12, 2020, 10:30

Title: error in IdVg Calculation
Post by: chitrapandy on June 12, 2020, 10:30

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

Title: Re: error in IdVg Calculation
Post by: sonal AGRAWAL on June 13, 2020, 14:27

I am also facing same problem

Title: Re: error in IdVg Calculation
Post by: Troels-Markussen on June 19, 2020, 11:35

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

Title: Re: error in IdVg Calculation
Post by: chitrapandy on June 22, 2020, 02:47

Hi

Thank you for the clarification.

Regards
Chitra