My Community

Dear all,

I have a problem of calculation including large number of k-point (over 128x128x128).
When such a large number of k-point is set, calculation stops showing a error message "IBZKPT',' NKPT>NKDIM'".

1. I increased a value of "NKDIM" in a source code file "mkpoints.F" under src directory to unlimit the number of k-point.
2. did "make clean" under src directory
3. did "make" under src directory

But the calculation could not be done due to segmentation fault.

How to use large number of k-point with no limitation?

Best regards,
Ryohei

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