I am doing Bader charge analysis in VASP.
My Bader charge simulation died and received the following error. Any suggestion will be highly appreciated.
*Error in adding charge density: can’t use non numeric string as operand of ‘+’.
The error message you received, "Error in adding charge density: can't use non-numeric string as operand of '+'", suggests that there is an issue with how you are trying to manipulate or perform operations on a non-numeric string within your VASP simulation.
To resolve this issue, you should check the part of your VASP input or script where you are attempting to perform arithmetic operations on a variable or data that should be numeric but is instead a non-numeric string. Some common reasons for this error include:
Data Formatting: Make sure that the data you are using in your calculation is properly formatted as numerical values, and there are no unexpected non-numeric characters in the input.
Variable Type: Check that the variables you are using in your calculation are defined as numeric variables and not strings. Ensure that you are using the correct data types in your calculations.
Input Data: Review your input files and parameters to ensure that there are no typos or incorrect data entries that could lead to this error.
Debugging: If you can identify the specific line or section of your script where this error occurs, examine that part of the code closely to pinpoint the issue.
Without the specific code or input data you are using, it's challenging to provide a more detailed solution, but by carefully inspecting your code and data, you should be able to identify and fix the problem causing this error.
Thank you.
But we are using VASP provided in the medeA suit. I haven’t used any non numeric string in my inputs. The same set of inputs works in Bader charge calculation of other materials. In case of a particular system, the aforementioned error appears. If you specify, i can provide more data/required files Mustapha Lasmi .
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