For photo sensitization
Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...
07 August 2024 269 3 View
Hello! I am trying to calculate the sumatriptan molecule, but it has been counting for five days and it does not stop. It seems to me that it is too long and I am doing something wrong. Please...
25 July 2024 3,364 5 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'm trying to study the effects of introducing vacancy defects in my material. If I optimize my structure and find the lattice parameter before introducing vacancy, should I again optimize my...
18 July 2024 1,794 2 View
Let n∈ℕ, where the function f:A⊆ℝ𝑛→ℝ, 𝐴 is Borel, and (A,d) is a completely seperable space. What is the name of the functions where the graph of f in any (n+1)-dimensional box of A×ℝ is...
17 July 2024 258 1 View
I am struggling to attain multiple research articles, so far, I have looked at the Swedish longitudinal study, they have good depth and reliability. I was thinking of looking into twin studies to...
15 July 2024 3,737 1 View
Hello dear colleagues and professors Please what is the recommended type of pseudopotentials for QE? ultrasoft or norm conserving?? And from where get all types of pseudos (us, nc, pbe,...
09 July 2024 9,541 5 View
assist in practice educators' course at university
03 July 2024 3,320 0 View
Good day everyone! I have searched and read a lot of topics about this one and yet there are still varying answers left and right. I need a specific one so I hope someone can help me with this. I...
02 July 2024 1,772 2 View
The idea is to design an IoT system that is able to capture real-time conditions from an oil palm tree to ensure optimal growth. Nutrients such as Sulfur, Nitrogen, Boron, Zinc, Copper and Iron.
30 June 2024 3,046 2 View
