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Jun 24

Parallelization of parabands

Dear BerkeleyGW developers and users, I'm recently trying to run parabands in BGW 4 on Perlmutter

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Parallelization of parabands

Dear BerkeleyGW developers and users, I'm recently trying to run parabands in BGW 4 on Perlmutter

Jun 24

Jun 22

absorption spectra mismatch

Dear BerkeleyGW developers, Recently I try to calculate the absorption of monolayer CrSBr with SOC (

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absorption spectra mismatch

Dear BerkeleyGW developers, Recently I try to calculate the absorption of monolayer CrSBr with SOC (

Jun 22

fen, Mauro Del Ben2

Jun 18

Which version of QE is most suitable for BerkeleyGW version 4.0?

All should work fine, lately I've been using qe-7.4.1 On Thu, Jun 18, 2026 at 10:07 AM fen <

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Which version of QE is most suitable for BerkeleyGW version 4.0?

All should work fine, lately I've been using qe-7.4.1 On Thu, Jun 18, 2026 at 10:07 AM fen <

Jun 18

Renhui Liu, Zhenglu Li2

Jun 14

Questions about k- and band-resolved electronic lifetime

Dear Renhui, To calculate lifetime, you need to use full frequency calculation (GPP is not enough) in

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Questions about k- and band-resolved electronic lifetime

Dear Renhui, To calculate lifetime, you need to use full frequency calculation (GPP is not enough) in

Jun 14

Jun 3

Tix still available..

Tix still available.. FIFA World Cup 2026™ I have 2 tix for the game between USA VS PARAGUAY. On

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Tix still available..

Tix still available.. FIFA World Cup 2026™ I have 2 tix for the game between USA VS PARAGUAY. On

Jun 3

Uday Pratap SIngh Kushwah

May 26

Question regarding skip_interpolation with use_symmetries_* and PDSYEVX failure in BerkeleyGW

Dear BerkeleyGW developers, I am encountering an issue when attempting to use skip_interpolation

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Question regarding skip_interpolation with use_symmetries_* and PDSYEVX failure in BerkeleyGW

Dear BerkeleyGW developers, I am encountering an issue when attempting to use skip_interpolation

May 26

Hong Tang, Rafael Rodrigues Del Grande5

May 25

Absorption errors

Dear Rafael and Zhenglu, Thanks so much for helping! With your code generated 18 c and v bands.

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Absorption errors

Dear Rafael and Zhenglu, Thanks so much for helping! With your code generated 18 c and v bands.

May 25

May 24

Bi2Se3 GW band structure: how can I remove the Γ-point dimple?

Hello, I have confirmed that the band dispersion in "sigma_hp.log" is parabolic. Therefore,

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Bi2Se3 GW band structure: how can I remove the Γ-point dimple?

Hello, I have confirmed that the band dispersion in "sigma_hp.log" is parabolic. Therefore,

May 24

Kasia Świrydowicz, Mauro Del Ben2

May 20

The download links for N10 benchmarks don't work any more

Perlmutter (NERSC) is currently down for maintenance. It should be operational when maintenance is

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The download links for N10 benchmarks don't work any more

Perlmutter (NERSC) is currently down for maintenance. It should be operational when maintenance is

May 20

Jessica Martinez

May 16

FIFA World Cup 2026™

FIFA World Cup 2026™ I have 3 tix for the game between USA VS PARAGUAY. On Friday June 12 2026. Sofi

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FIFA World Cup 2026™

FIFA World Cup 2026™ I have 3 tix for the game between USA VS PARAGUAY. On Friday June 12 2026. Sofi

May 16

MM L, 张子恒2

Apr 10

"Error in routine davcio (13): error writing file ./CrI3.hub " when running pw2bgw

Hi MM, I also encountered this situation. May I ask how did you resolve this? Best, Ziheng 在2025年10月

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"Error in routine davcio (13): error writing file ./CrI3.hub " when running pw2bgw

Hi MM, I also encountered this situation. May I ask how did you resolve this? Best, Ziheng 在2025年10月

Apr 10

Arabi Seshappan

Apr 2

PseudoBands Procedure Help

Dear users and developers, I am attempting to do a calculation using ParaBands and stochastic

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PseudoBands Procedure Help

Dear users and developers, I am attempting to do a calculation using ParaBands and stochastic

Apr 2

KEHINDE AKINTOLA, Mauro Del Ben3

Mar 27

Bezene SAPO epislon

Hi Mauro, Thank you for the response. I did with a single MPI rank and worked fine except that some

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Bezene SAPO epislon

Hi Mauro, Thank you for the response. I did with a single MPI rank and worked fine except that some

Mar 27

Agathyan Barathi, Zhenglu Li4

Mar 26

Heterobilayer: DFT indirect → GW direct gap?

Dear Zhenglu, Thank you for the guidance. I pushed the tests up to 1664 empty bands. Using a 1/N

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Heterobilayer: DFT indirect → GW direct gap?

Dear Zhenglu, Thank you for the guidance. I pushed the tests up to 1664 empty bands. Using a 1/N

Mar 26

fen, Zhenglu Li4

Mar 6

Why the Kernel calculation of bilayer TMD takes lots of time?more than 10 times the monolayer TMD

The N_G (number of G vectors, ~ cell size) in BSE kernel also has a steep scaling (at least N^3). To

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Why the Kernel calculation of bilayer TMD takes lots of time?more than 10 times the monolayer TMD

The N_G (number of G vectors, ~ cell size) in BSE kernel also has a steep scaling (at least N^3). To

Mar 6

Feb 4

Calculations of excitons in external magnetic fields?

Dear BGW community, I am interested in running GW-BSE calculations for materials (solids and/or

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Calculations of excitons in external magnetic fields?

Dear BGW community, I am interested in running GW-BSE calculations for materials (solids and/or

Feb 4

Lai MingRui, Mauro Del Ben2

Jan 28

prefactor for kernel matrix elements.

Dear Lai MingRui, in bsemat.h5 file the the kernel matrix elements are multiplied by the cell volume

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prefactor for kernel matrix elements.

Dear Lai MingRui, in bsemat.h5 file the the kernel matrix elements are multiplied by the cell volume

Jan 28

Kristina O Brien

Jan 16

Garmin Edge 1030 Plus bike computer

Garmin Edge 1030 Plus bike computer Bought after i retired, but never used. Photo shows screen

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Garmin Edge 1030 Plus bike computer

Garmin Edge 1030 Plus bike computer Bought after i retired, but never used. Photo shows screen

Jan 16

Masoud Mansouri

Jan 15

Accessing the W

Dear BGW developers, I'd like to access the COHSEX W(q, ω=0) explicitly for post-processing.

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Accessing the W

Dear BGW developers, I'd like to access the COHSEX W(q, ω=0) explicitly for post-processing.

Jan 15

Jan 13

Macroscopic dielectric tensor

Dear BGW experts, I would like to calculate the macroscopic dielectric tensor for 3D, 2D, and 1D

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Macroscopic dielectric tensor

Dear BGW experts, I would like to calculate the macroscopic dielectric tensor for 3D, 2D, and 1D

Jan 13

Jan 8

Example of a molecule

Dear BGW members, I would like to study a molecule by calculating the HOMO–LUMO gap at both the KS

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Example of a molecule

Dear BGW members, I would like to study a molecule by calculating the HOMO–LUMO gap at both the KS

Jan 8

Erik fp, Mauro Del Ben3

12/23/25

sigma.x complains WFN_inner does not exist

Hi Mauro, Thank you for your reply. I ended up doing exactly what you said and it worked, although I

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sigma.x complains WFN_inner does not exist

Hi Mauro, Thank you for your reply. I ended up doing exactly what you said and it worked, although I

12/23/25

James Wu, Chih En Hsu3

12/19/25

absorption.x kernel_scaling not implemented

Hi Andy, Thank you for the clarification, I got things to work now! --James On Thu, Dec 18, 2025 at

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absorption.x kernel_scaling not implemented

Hi Andy, Thank you for the clarification, I got things to work now! --James On Thu, Dec 18, 2025 at

12/19/25

Dina Abdelkhalek

12/12/25

Issue with WFNq Matching in Epsilon Step of BerkeleyGW (MoS₂ 2D)

Dear Users and Developers, I am currently performing GW calculations for 2D MoS₂ using BerkeleyGW. I

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Issue with WFNq Matching in Epsilon Step of BerkeleyGW (MoS₂ 2D)

Dear Users and Developers, I am currently performing GW calculations for 2D MoS₂ using BerkeleyGW. I

12/12/25

Rafael Rodrigues Del Grande, Brad Barker2

12/11/25

BGW compilation on SDSC

Hi all, I am bumping this thread, before I make a similar attempt, myself. (Hi Rafael!) Best,

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BGW compilation on SDSC

Hi all, I am bumping this thread, before I make a similar attempt, myself. (Hi Rafael!) Best,

12/11/25

Cornelius Glanzer

12/9/25

2024 Garmin Fenix 7X Pro Sapphire Solar 51mm Smart Watch

2024 Garmin Fenix 7X Pro Sapphire Solar 51mm Smart Watch Like New! Garmin Fenix 7X Pro Solar 51mm

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2024 Garmin Fenix 7X Pro Sapphire Solar 51mm Smart Watch

2024 Garmin Fenix 7X Pro Sapphire Solar 51mm Smart Watch Like New! Garmin Fenix 7X Pro Solar 51mm

12/9/25

Byeongchan Lee, David Strubbe3

12/8/25

Polarization dependence of absorption using a q-shift

Small correction: I mean it is the difference between WFN and WFNq_fi, not WFNq. David David A.

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Polarization dependence of absorption using a q-shift

Small correction: I mean it is the difference between WFN and WFNq_fi, not WFNq. David David A.

12/8/25

박기명(일반대학원 물리학과), … mike marchywka4

12/4/25

Very high memory usage in Epsilon calculations

I'm not sure about your situation but I had a case where running with or without the mpirun made

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Very high memory usage in Epsilon calculations

I'm not sure about your situation but I had a case where running with or without the mpirun made

12/4/25

Kostas Fykouras

12/2/25

Questions about nonlinearoptics module

Dear experts, I have some questions regarding the nonlinearoptics module, specifically about the

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Questions about nonlinearoptics module

Dear experts, I have some questions regarding the nonlinearoptics module, specifically about the

12/2/25

11/26/25

Energy band of CrI3 corrected by GW is not consistent with the paper

Dear all I'm following the BGW calculation of the paper "Physical origin of giant excitonic

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Energy band of CrI3 corrected by GW is not consistent with the paper

Dear all I'm following the BGW calculation of the paper "Physical origin of giant excitonic

11/26/25

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