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DFT rgrid setup Options (Gauss–Chebyshev quadrature) in MRCC manual has a typo?
- houqq
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5 years 7 months ago #693
by houqq
DFT rgrid setup Options (Gauss–Chebyshev quadrature) in MRCC manual has a typo? was created by houqq
Hi all,
I have found that in manual(February 9, 2019) page 117, the rgrid setup Options -Gauss–Chebyshev quadrature was GS.
But if one use:
rgrid=GS
in calculation, the code will exit:
A simple presumptio is that GS was just a typo, GC is right.
So, just put:
rgrid=GC
It will run smoothly.
So the GS was indeed a typo, GC is right, please kindly review.
Qinqing
I have found that in manual(February 9, 2019) page 117, the rgrid setup Options -Gauss–Chebyshev quadrature was GS.
But if one use:
rgrid=GS
in calculation, the code will exit:
A simple presumptio is that GS was just a typo, GC is right.
So, just put:
rgrid=GC
It will run smoothly.
So the GS was indeed a typo, GC is right, please kindly review.
Qinqing
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- kallay
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- Mihaly Kallay
5 years 7 months ago #695
by kallay
Best regards,
Mihaly Kallay
Replied by kallay on topic DFT rgrid setup Options (Gauss–Chebyshev quadrature) in MRCC manual has a typo?
Dear Qinqing,
Thank you for pointing out this, which is a typo. I have corrected it.
Thank you for pointing out this, which is a typo. I have corrected it.
Best regards,
Mihaly Kallay
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