absorption.x kernel_scaling not implemented

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James Wu

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Dec 17, 2025, 12:42:45 PM12/17/25
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Hi all,

It appears that the kernel_scaling keyword has not been implemented. I checked the codebase and found it to correspond to the xct%scaling member, which is not being multiplied by the BSE kernel. Only a check of whether it is zero is performed.

I discovered this when extracting the A matrix of hbse.h5 for kernel_scaling = 1, 2 and noticing they were the same.

Cheers,
James

Chih En Hsu

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Dec 19, 2025, 2:51:08 AM12/19/25
to BerkeleyGW Help, jame...@berkeley.edu
 Hi James,

I’ve checked the source code in both the 4.0 and 3.0 versions, and the tag appears to be functioning correctly.
Although I can’t attach screenshots on this forum, you can verify this around line 224 in BSE/intkernel.f90, where the kernel is scaled prior to assembling the full BSE kernel.
I also revisited several of my previous calculations using this flag, and in those cases the A matrix in hbse.h5 is indeed scaled as expected.

Best,
Andy




jame...@berkeley.edu 在 2025年12月18日 星期四凌晨1:42:45 [UTC+8] 的信中寫道:

James Wu

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Dec 19, 2025, 3:11:49 AM12/19/25
to Chih En Hsu, BerkeleyGW Help
Hi Andy,

Thank you for the clarification, I got things to work now!

--James
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