in optimization process its showing for carbohydrates computational studies.
How to Solve Inaccurate quadrature in CalDSu. errors in Gaussian?
Hello Desh Deepak A P Singh Chauhan
You see this error ? "Inaccurate quadrature in CalDSu"
The integral not enough, under DFT calculations with some basis sets.
for solve this problem:
Check the input file, whether there was some miss in basis set or unreasonable structure. If not, use one of following keywords:
int=ultrafine (default in Gaussian 16), or int=grid=300590.
SCF=novaracc.
guess=INDO.
If not work, use (1)~(3) at same time.
Note, this error is usually seen in heavy calculations. You can email this team to provide infrastructure, they specialize in preparing inputs, fixing errors, and performing calculations and data analysis in computational chemistry. [email protected]
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