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set_param(XC_RANGESEP_MU) #73

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sunqm opened this issue May 3, 2018 · 2 comments
Open

set_param(XC_RANGESEP_MU) #73

sunqm opened this issue May 3, 2018 · 2 comments

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@sunqm
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sunqm commented May 3, 2018

I noticed the range-separated parameter mu=0.4 is hard coded in common_parameters.cpp. This parameter is often set to 0.33 in CAM-B3LYP. Is there any way to modify mu at the runtime?

@bast
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bast commented May 11, 2018

Thanks for the question - it is not forgotten. I will have a look in the code and come back ASAP.

@bast bast self-assigned this Apr 7, 2020
@bast
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bast commented Apr 8, 2020

I looked at it finally, after years (apologies). I am unsure whether this can be set at runtime.

@bast bast removed their assignment Apr 8, 2020
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