BerkeleyGW Help

Dear BGW developers, I used qe-bgw to calculate the silicon_SOC of BerkeleyGW-examples (BerkeleyGW-

2023 Garmin Forerunner 955 Solar Selling my Forerunner 955 Solar. Only a few months old, turns out I

Subject: epsilon subsampling: is_q0=0 still reads from WFNq causing error Hi, I'm using epsilon

Dear MingRui, Looks like this comes from the accuracy in the kpoints, based on your description. 1e-4

Yes, that is correct for your structure. From: Bill Ash <ashbi...@gmail.com> Sent: Thursday,

Hello, I'm Jaedan, a grad student attending UCSD & SDSU's joint doctoral program. I just

Dear Colleagues, We are happy to announce the 11th Annual BerkeleyGW Tutorial Workshop and the 6th

Dear All Our group uses Siesta for band structure calculation. We need to perform Band structure

Dear Ahmad, You can let pw2bgw to write vxc.dat under spinor case, which can be used for Sigma. Best,

Hi Mauro, I have a follow-up question, I also want to send a job to Einsteinium cluster, should I

Hello! Definitely, but don't have more :( How could I overcome this? Best Maksim On Thursday,

Dear Zheng, Thank you so much for your help! Using inteqp.x worked, and my finite-Q absorption

Hi Tieshuan, Looking at the LDA bands, the system appears as a metal. Inteqp does not resolve metals.

Dear Eleanor, Have you solved this problem yet? I'm having the same problem. Thank you in advance

Dear BGW developers, I want to compute the exciton band structures. As shown in the figure below. So

Hi M, Thank you for your reply. Here are my epsilon input and output files, where the error file

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Dear Ahmad, You can use the vhub_flag = .true. flag in the pw2bgw.x to output the vhub.dat file, with

Dear Ahmad, We have this feature to be released in the next version. For now, you can replace the

Hi Nicholas, We do have the NVTX module in Common/nvtx.f90, to use it you could add the calls to

Hey Everyone, I was running the epsilon calculation for K2SiF6 (fm3m 225). I am getting this error :

Dear all, I am trying to compile BGW 4.0 in the daint alps. that has GH200 GPU and have ARM cores. I

Dear experts, I have an inquiry about the units in the cube file produced from plotxct and volume.py

Dear Matineh, It seems that the experimental gap of GaN is 3.4 eV. Your value of 3.2 eV is pretty

Dear Ahmad, Maybe you could check if you are using the latest version of Quantum Espresso. Or, you

Never mind. You are very welcome. From: 白云飞 <baiyun...@gmail.com> Sent: Monday, December 16,

Hi, I am also facing the same issue with finite Q calculations. One way I found is just to use "

Dear Yunfei, In BerkeleyGW implementation, extended kernel only works with Q = 0. On the other hand,

Dear all: when I use the "offdiagonal_exciton_spin.py " code to calculate the spin matrix

Dear Kostas, In standard DFT calculations, the DFT will first find the symmetry of crystal (Bravais