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Christie Curd
12:11 AM
2026 Garmin HRM Pro Plus
2026 Garmin HRM Pro Plus New still sealed Garmin HRM Pro Plus Second Edition (structural strap update
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2026 Garmin HRM Pro Plus
2026 Garmin HRM Pro Plus New still sealed Garmin HRM Pro Plus Second Edition (structural strap update
12:11 AM
Xu Yang
, …
Fangzhou Zhao
6
Sep 16
Question about MoS2 SOC example and pw2bgw.x error
Dear Xu, You could try to change to wfng_nk1 = 36 wfng_nk2 = 36 wfng_nk3 = 1 wfng_dk1 = 0.012888889
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Question about MoS2 SOC example and pw2bgw.x error
Dear Xu, You could try to change to wfng_nk1 = 36 wfng_nk2 = 36 wfng_nk3 = 1 wfng_dk1 = 0.012888889
Sep 16
MM L
,
Vijendra Grawhal
2
Sep 16
Dear all, I have a question about the magnetic calculation
Hello Lu, I am also facing this problem now. If you got an example or figured it out by yourself,
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Dear all, I have a question about the magnetic calculation
Hello Lu, I am also facing this problem now. If you got an example or figured it out by yourself,
Sep 16
Jessica Martinez
Sep 15
Garmin Edge 840 Solar
New in box Garmin Edge 840 Solar. comes with original box and accessories, and a silicone case with
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Garmin Edge 840 Solar
New in box Garmin Edge 840 Solar. comes with original box and accessories, and a silicone case with
Sep 15
Jessica Martinez
Sep 5
FS:Garmin Edge 1050
Garmin Edge 1050 bicycle computer. Used only 59 km. Original box with manual, charge and download
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FS:Garmin Edge 1050
Garmin Edge 1050 bicycle computer. Used only 59 km. Original box with manual, charge and download
Sep 5
박기명(일반대학원 물리학과)
2
Aug 28
evGW method
Instead, I plan to determine a linear mapping from the DFT eigenvalues to the QP energies and use it
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evGW method
Instead, I plan to determine a linear mapping from the DFT eigenvalues to the QP energies and use it
Aug 28
박기명(일반대학원 물리학과)
Aug 21
scissor operator options in epsilon_input
Dear BerkeleyGW users, When DFT (or DFT+SOC) yields a very small band gap, I understand that the
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scissor operator options in epsilon_input
Dear BerkeleyGW users, When DFT (or DFT+SOC) yields a very small band gap, I understand that the
Aug 21
Pradhi Srivastava
Jul 27
Units and normalization of abs(dipole)^2 in BSE eigenvalues.dat
Dear BerkeleyGW developers and users, I am performing a GW-BSE calculation for an example of a 2D
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Units and normalization of abs(dipole)^2 in BSE eigenvalues.dat
Dear BerkeleyGW developers and users, I am performing a GW-BSE calculation for an example of a 2D
Jul 27
Mauro Del Ben
Jul 10
12th BerkeleyGW Tutorial Workshop and 7th Berkeley Excited States Conference (BESC2026) – August 17-21, 2026 [Berkeley, California, USA]
Dear All, We are happy to announce the 12th Annual BerkeleyGW Tutorial Workshop and the 7th Berkeley
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12th BerkeleyGW Tutorial Workshop and 7th Berkeley Excited States Conference (BESC2026) – August 17-21, 2026 [Berkeley, California, USA]
Dear All, We are happy to announce the 12th Annual BerkeleyGW Tutorial Workshop and the 7th Berkeley
Jul 10
Maksim Fadeev
,
fen
2
Jun 30
Calculation without symmetry
This is the setting about nosym when you calculate the scf and wfn, try to set nosym=.false. On
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Calculation without symmetry
This is the setting about nosym when you calculate the scf and wfn, try to set nosym=.false. On
Jun 30
Jinyuan Wu
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
fen
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 Ben
2
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 Li
2
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
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 Grande
5
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
Jun Inagaki
2
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 Ben
2
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 Ben
3
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 Li
4
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 Li
4
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
Ben Eller
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 Ben
2
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
Manoar Hossain
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
Manoar Hossain
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