Dear community;
What values should we consider for q1, q2 and q3 in hp code of quantum espresso? When we insert bigger values, the computational time becomes higher.
DOS version.
29 July 2024 6,064 1 View
I'm performing multiscale calculations with mechanical embedding in ORCA and I have a question about how atomic charges are handled during geometry optimization and reaction coordinate scans. Are...
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It is not only the responsibility of the authors but also the reviewers to assess the manuscript appropriately and help in improving the quality of the finished article. A good reviewer not only...
11 May 2024 4,858 7 View
Dear Geology Community, I am currently researching the dating of detrital zircon in metasediments. Due to the small size of my samples, traditional mineral separation methods may not yield a...
09 May 2024 337 7 View
I want to study the effects of train induced vibrations on nearby structures. For this purpose I used this paper :Finite element model of ballasted railway with infinite boun... I modeled the...
24 April 2024 2,687 6 View
Dear ResearchGate Community Friends, Seeking a co-guide for my Ph. D. Degree. Concerning the above-mentioned subject, I wish to inform you that I am Mr. Mir Mehdi Ali Jafri, doing my Ph. D....
16 April 2024 3,572 0 View
need the latest articles on the powerful use of body language among politicians for policy conception and how politicians leverage body language to influence public opinion and gain support.
10 March 2024 5,036 2 View
"I am seeking information on how to access Grammarly Premium for free, as purchasing and making payments from within Iran is not feasible. Is there a way for someone to share their account with me?"
05 March 2024 6,873 0 View
Can anyone help me with PPG signal processing? or recommend a trainer, the trainer will be paid for online training....
29 February 2024 3,578 1 View
Hello, everyone. I have tried to determine carrier motilities of some materials, by Density Functional Theory, using Quantum ESPRESSO. There are a few methods to do it, like a package called...
04 August 2024 8,894 1 View
Since 2016 Brexit, the world needed to change the thinking behind traditional democracy as the democratic landscape changed, yet traditional democratic thinkers and actors have been acting as if...
28 July 2024 6,515 1 View
Dear Siesta Users, I installed Siesta 5.0.1 and I want to use Grimme's D3 correction. According to the 5.0.1 manual, I could use a few parameters to include the D3 correction in the...
27 July 2024 5,748 0 View
Do You Believe VP Harris Would Show Empathy to Tech Companies in Her Administration as POTUS? I ask in light of the fact that, the ACP was not re-funded this round. So many and businesses need...
24 July 2024 4,732 3 View
Please suggest basic literature on lattice-based cryptography. A kind response from the cryptographic community will be highly appreciated.
24 July 2024 6,291 4 View
how do i set one up? What do I include?
22 July 2024 6,097 4 View
Dear Researchers, My question is associated with the "MDCI" method in Orca. Please let me clarify my question using a simple example: Suppose we are going to perform CBS extrapolation using "!...
21 July 2024 1,632 0 View
I want to calculate the spin texture for the electronic band structure obtained from SOC calculation. Is there any way for calculation of spin texture using quantum espresso??
19 July 2024 8,571 1 View
Image Processing Algorithms, Quantum Computing.
17 July 2024 7,958 2 View
In recent years, quantum computing has emerged as a groundbreaking technology with the potential to revolutionize various fields, including artificial intelligence (AI). AI has already made...
17 July 2024 1,398 3 View