Hello Eveyone,
I am new to NEB(Nudged Elastic Band) calculation.Can anyone help me to understand and what is needed to do NEB calculation for MoS2.
I want to know more about Uranium ore deposits in world.
11 August 2024 6,720 0 View
I want to know more about diamond ore deposits in world.
11 August 2024 2,167 1 View
We assume that the difference is huge and that it is not possible to compare the two spaces. The R^4 mathematical space considers time as an external controller and the space itself is immobile in...
10 August 2024 6,678 14 View
If Banks do not provide credit facility, what are the options available for FPOs and impact on producer’s income?
10 August 2024 8,198 5 View
I used eye tracking to examine how participants from two different populations (A and B) react to an image. Participants in population A exhibit larger pupil sizes over time, but they also have...
10 August 2024 3,229 0 View
What are a “Farmers Producer Organization” (FPO) and its essential features?
10 August 2024 477 5 View
I have been doing the m6A dot blot for a while with no improvement, I am extracting the RNA, and I can see the dots although the three biological replicas give a different reading on the memberan...
10 August 2024 8,539 5 View
How do interactions between the biosphere, the carbon cycle, and the water cycle impact global warming and interaction between the atmosphere and the hydrosphere?
09 August 2024 3,291 2 View
I have input a moment load in module load Abaqus, i put my moment load on the node surface (using reference point). I have define moment in history output and make a set for moment too. But the...
08 August 2024 4,831 4 View
How is energy cycled through the Earth's climate system and how do matter cycle and energy flow through the rock cycle?
08 August 2024 8,162 0 View
I need to model an anisotropic material in which the Poisson's ratio ν_12 ≠ ν_21 and so on. Therefore, the elastic compliance matrix wouldn't be a symmetric one. In ANSYS APDL, for TB,ANEL...
09 August 2024 5,048 2 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
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
The aim of the research here is to prevent the propagation of the crack in the fabricated elastic medium with useful applications.
25 July 2024 9,976 3 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
Aim is to simulate the shape of Mobius strip (an elastic ribbon) in simple way ( using Abaqus Learning edition). In literature, Mobius strip is modeled as Kirchhoff Rod / Cosserat plate. But, such...
15 July 2024 4,388 1 View
We assume that the cat in a box paradox may allow an additional approach to include multiple cats in the same box. We can now see two seemingly different views, quantum and classical. The...
13 July 2024 8,233 4 View