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Jun Inagaki
Oct 5
Plot epsmat
Dear developpers, I saw epsinvomega.flavor.x and ploteps.flavor.x in Epsilon folder. I suppose these
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Plot epsmat
Dear developpers, I saw epsinvomega.flavor.x and ploteps.flavor.x in Epsilon folder. I suppose these
Oct 5
Yaze Wu
2
Sep 21
occupations out of bounds in wfn
In the case of the original post which encountered the abovementioned issue, I ran the parabands
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occupations out of bounds in wfn
In the case of the original post which encountered the abovementioned issue, I ran the parabands
Sep 21
matineh hoseini
,
Zhenglu Li
14
Sep 19
ERROR: occupations (ifmax) inconsistent between WFN and WFNq files.
Thank you for your reply. I will try to increase the number of bands to see what will happen. Also, I
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ERROR: occupations (ifmax) inconsistent between WFN and WFNq files.
Thank you for your reply. I will try to increase the number of bands to see what will happen. Also, I
Sep 19
Channing Hou
,
Mauro Del Ben
2
Sep 12
How to Set the Input for QE Calculation to get WFN for stochastic pseudobands
Hi Channing Hou, You can find more information on out manual page here: http://manual.berkeleygw.org/
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How to Set the Input for QE Calculation to get WFN for stochastic pseudobands
Hi Channing Hou, You can find more information on out manual page here: http://manual.berkeleygw.org/
Sep 12
Daniel Hernangomez Perez
Aug 30
checkbz: unfolded BZ from WFN has missing k-points in Epsilon
Dear BGW team, I am running a calculation of a system with BGW, and I am finding a strange behavior.
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checkbz: unfolded BZ from WFN has missing k-points in Epsilon
Dear BGW team, I am running a calculation of a system with BGW, and I am finding a strange behavior.
Aug 30
matineh hoseini
Aug 30
facing this error after running inteqp.cplx.x :" Missing bands in file eqp_co.dat"
Dear all, I am facing this error after running inteqp.cplx.x for GaN which is without inversion
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facing this error after running inteqp.cplx.x :" Missing bands in file eqp_co.dat"
Dear all, I am facing this error after running inteqp.cplx.x for GaN which is without inversion
Aug 30
Zhenglu Li
,
matineh hoseini
7
Aug 22
Re: size of FFT
Thank you for your reply. On Thursday, August 22, 2024 at 2:12:04 PM UTC-4 Zhenglu Li wrote: Dear
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Re: size of FFT
Thank you for your reply. On Thursday, August 22, 2024 at 2:12:04 PM UTC-4 Zhenglu Li wrote: Dear
Aug 22
ru li
Aug 18
Found a point that was not calculated before
when I use the absorption.cplx.x to calculate the optical spectrum, I got an error that "Found a
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Found a point that was not calculated before
when I use the absorption.cplx.x to calculate the optical spectrum, I got an error that "Found a
Aug 18
Amos Afugu
,
Zhenglu Li
2
Aug 13
How to Convert Wavefunction files to Charge-density.hdf5 readable by Quantum Espresso pp.x
Dear Amos, Thank you for your information. In that case, you may need to construct by hand the new
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How to Convert Wavefunction files to Charge-density.hdf5 readable by Quantum Espresso pp.x
Dear Amos, Thank you for your information. In that case, you may need to construct by hand the new
Aug 13
Haozhe Li
Aug 10
Error Encountered When Repeating Examples of BGW
Dear BerkeleyGW team, I'm trying to repeate the examples of BGW 2023 Workshop. I am working in
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Error Encountered When Repeating Examples of BGW
Dear BerkeleyGW team, I'm trying to repeate the examples of BGW 2023 Workshop. I am working in
Aug 10
rachel steinitz
Aug 8
help in write_eph_h5.py for metals
Dear BerkeleyGW team, I'm trying to calculate electron- phonon interaction for metals. In order
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help in write_eph_h5.py for metals
Dear BerkeleyGW team, I'm trying to calculate electron- phonon interaction for metals. In order
Aug 8
Mohammad Mazhar Hussain
, …
Boss Man
3
Aug 5
Is BerkeleyGW Help Group Active?
Mushrooms contain macronutrients that support a healthy immune system. According to the Mushroom
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Is BerkeleyGW Help Group Active?
Mushrooms contain macronutrients that support a healthy immune system. According to the Mushroom
Aug 5
yimin ding
,
Mauro Del Ben
3
Aug 2
Issues of running epsilon.real.x of GPU version BGW-4.0
Dear Prof./Dr. Mauro Del Ben Many thanks for your reply. But, the errors exhibit too, based on your
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Issues of running epsilon.real.x of GPU version BGW-4.0
Dear Prof./Dr. Mauro Del Ben Many thanks for your reply. But, the errors exhibit too, based on your
Aug 2
Ragab Abdelghany
,
Mauro Del Ben
2
Jul 29
Issues Installing GPU Version of BerkeleyGW-4.0 with oneAPI HPC Kit
Hi Ragab, This is usually happening if you are running on a non GPU node, the initialize_gpu function
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Issues Installing GPU Version of BerkeleyGW-4.0 with oneAPI HPC Kit
Hi Ragab, This is usually happening if you are running on a non GPU node, the initialize_gpu function
Jul 29
Pradhi 1710513
,
Gurjyot Sethi
4
Jul 24
Segmentation faylt while running epsilon.real.x
Dear Pradhi, That's great! Thanks for letting us know. ~Sethi On Wed, Jul 24, 2024 at 00:48
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Segmentation faylt while running epsilon.real.x
Dear Pradhi, That's great! Thanks for letting us know. ~Sethi On Wed, Jul 24, 2024 at 00:48
Jul 24
Benjamin Reid Eller
,
Mauro Del Ben
2
Jul 16
How to know which makefile to use for compiling on cluster?
Hi Ben, There are basically 2 major things to consider, (1) compiler (2) libraries. Usually GNU
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How to know which makefile to use for compiling on cluster?
Hi Ben, There are basically 2 major things to consider, (1) compiler (2) libraries. Usually GNU
Jul 16
Hong Tang
, …
Thejan Hasaranga
6
Jul 12
pw2bgw run error with spinor wavefunction
Dear Hong Tang, I also have encountered some of these errors you have mensioned in this discussion,
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pw2bgw run error with spinor wavefunction
Dear Hong Tang, I also have encountered some of these errors you have mensioned in this discussion,
Jul 12
gordont...@gmail.com
, …
Zhenglu Li
9
Jul 12
Segementation fault using pw2bgw
Dear Thejan, It looks like you are using ultrasoft pseudopotentials, which are not supported for GW
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Segementation fault using pw2bgw
Dear Thejan, It looks like you are using ultrasoft pseudopotentials, which are not supported for GW
Jul 12
Edward Kong
,
Zhenglu Li
4
Jun 28
Band Indices mixed
Dear Zhenglu, Great! Thanks for your kind reply! Best, Mingran On Friday 28 June 2024 at 19:09:33 UTC
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Band Indices mixed
Dear Zhenglu, Great! Thanks for your kind reply! Best, Mingran On Friday 28 June 2024 at 19:09:33 UTC
Jun 28
Md. Jahid Hasan Sagor
,
Zhenglu Li
2
Jun 28
Plot Dielectric function using BerkeleyGW
Dear Md Jahid Hasan, If you run through the whole process and finish the BSE calculation, you can get
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Plot Dielectric function using BerkeleyGW
Dear Md Jahid Hasan, If you run through the whole process and finish the BSE calculation, you can get
Jun 28
Mohammad Mazhar Hussain
Jun 26
For those, who don't know what the BerkeleyGW Help Group is all about in simple terms..
BerkeleyGW is a software tool that helps scientists and researchers study the properties of materials
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For those, who don't know what the BerkeleyGW Help Group is all about in simple terms..
BerkeleyGW is a software tool that helps scientists and researchers study the properties of materials
Jun 26
张奕林
3
Jun 2
Unable to compile BerkeleyGW on GNOME
Anyone Help me plz? 在2024年5月31日星期五 UTC+8 11:24:56<张奕林> 写道： Dear BGW experts, Recently I tried
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Unable to compile BerkeleyGW on GNOME
Anyone Help me plz? 在2024年5月31日星期五 UTC+8 11:24:56<张奕林> 写道： Dear BGW experts, Recently I tried
Jun 2
Sofía López
,
Mauro Del Ben
2
May 30
Question About GW memory requirement
Hi Sofia, Each of the BerkeleyGW's modules give you a memory usage report right at the beginning
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Question About GW memory requirement
Hi Sofia, Each of the BerkeleyGW's modules give you a memory usage report right at the beginning
May 30
Mauro Del Ben
,
Swapnil Deshpande
2
May 28
10th BerkeleyGW Tutorial Workshop and 5th Berkeley Excited States Conference (BESC2024) – August 12-16, 2024 [Oakland, California, USA]
Dear Prof. Mauro, Thanks for informing us about the 10th Annual BerkeleyGW Tutorial Workshop and the
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10th BerkeleyGW Tutorial Workshop and 5th Berkeley Excited States Conference (BESC2024) – August 12-16, 2024 [Oakland, California, USA]
Dear Prof. Mauro, Thanks for informing us about the 10th Annual BerkeleyGW Tutorial Workshop and the
May 28
farhan tanzim
,
Mauro Del Ben
3
May 28
Requesting assistance to compile BerkeleyGW in Jureca-supecluster
Hi, Thank you for the comment, unfortunately, it gave the same error. Regards, Farhan On Friday, May
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Requesting assistance to compile BerkeleyGW in Jureca-supecluster
Hi, Thank you for the comment, unfortunately, it gave the same error. Regards, Farhan On Friday, May
May 28
Kostas Fykouras
May 28
Generating eqp.dat and eqp_q.dat for self-consistency for magnetic system
Dear experts, I am trying to perform eigenvalue self-consistency for a magnetic system. I use nspin=2
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Generating eqp.dat and eqp_q.dat for self-consistency for magnetic system
Dear experts, I am trying to perform eigenvalue self-consistency for a magnetic system. I use nspin=2
May 28
Mohsen Mahmoudi
May 27
Exact Fermi Level Determination
My question is, in your package which is a real-space DFT, similar to what happens in VASP which
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Exact Fermi Level Determination
My question is, in your package which is a real-space DFT, similar to what happens in VASP which
May 27
Hong Tang
,
Zhenglu Li
4
May 18
GW0 iterate G
Dear Hong, I cannot tell in detail what happened in this case. It would be good to check what causes
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GW0 iterate G
Dear Hong, I cannot tell in detail what happened in this case. It would be good to check what causes
May 18
Gsbgo rmgo Grogj
May 9
Including dynamical electronic screening in the BSE calculations
Dear all, For a system where exciton binding energy is larger or comparable than the characteristic
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Including dynamical electronic screening in the BSE calculations
Dear all, For a system where exciton binding energy is larger or comparable than the characteristic
May 9
Andres Ortega
, …
Mauro Del Ben
7
May 6
BerkelyGW in Piz daint
Hi Beatriz, The "Floating point exception" usually happens when you compile with GPU
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BerkelyGW in Piz daint
Hi Beatriz, The "Floating point exception" usually happens when you compile with GPU
May 6
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