I found hard to compute optical conductivity of SrNbO3 on Quantum Espresso. what pseudopotential should i used?

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How we know plasmon from dielectric function?

i am working to investigate plasmon from some materials. can anybody give me some explaination to me?

10 October 2017 3,361 2 View

If i calculate band structure of Sr2Nb2O7 instead of SrNbO3.5 with Quantum Espresso, is same result that i get?

i actually want to calculate band structure of SrNbO3.5 with quantum espresso, but i have some trouble with its atomic position. my colleague advice me to use Sr2Nb2O7, but i doubt with the result...

14 September 2017 7,225 4 View

Problems about acousto-optic coupling in Comsol, how to check whether the moving mesh is correct?

I’m trying to reproduce the acousto-optic coupling simulation in the paper Frequency–angular resolving LiDAR using chip-scale acousto-optic beam steering. LNOI(lithium niobate on insulator) is...

13 August 2024 9,795 0 View

How to calculate CCS for Sodiated adduct ions and Multiply Charged Ions?

I'm currently working on calculating the collision cross section (CCS) for various ions, and I'm facing challenges when dealing with sodiated and multiply charged ions. Most of the resources I’ve...

08 August 2024 8,329 0 View

1. If I can quantize the atom using this hyperbolic spiral and classical physics, could nature do the same?

If we map as a continuous motion an ionising electron (beginning its journey at n=1) in an H atom, a specific hyperbolic spiral appears (see animation). When we solve this spiral formula, we find...

07 August 2024 5,343 2 View

How are iso-frequency contours plotted?

Let's say we have a standard, regular hexagonal honeycomb with a 3-arm primitive unit cell (something like the figure attached; the figure is only representative and not drawn to scale). The...

07 August 2024 1,937 1 View

What is the ionic radius of Hydrogen anion? And how to know the exact ionic radii of the elements?

I'm trying to calculate the tolerance factors of the hydride perovskite and the value calculated by me and the reported values are contradictory. Need more clarity in using the correct ionic radii...

01 August 2024 2,614 1 View

Best mask design for metal deposition aiming build a Perovskite solar cell device?

What types of mask designs for metal deposition, to be used in a PVD system, are best suited for perovskite-based solar cells?

31 July 2024 4,835 3 View

Can a Conventional 50W visible LED Lamp Emit UV Light?

I'm researching light sources and their UV emissions. I'm curious if a 50W, 7500K conventional LED lamp emits any UV light. I found that a 200W tungsten lamp can emit up to 1.5 mW/cm² at 350 nm....

31 July 2024 3,843 7 View

Inquiry on Maximum Nucleic Acid Volume for 2.5 mL Liposome Solution?

I am currently working on a project involving liposomes and need to determine the maximum volume of siRNA that can be added to a 2.5 mL liposome solution with a total lipid concentration of 10...

30 July 2024 6,420 1 View

CAD File of human's & rat's respiratory airways ?

Dear all, I am working on particle deposition in human's & rat's respiratory airways using CFD and I am looking for the 3D CAD file for my simulations (STEP or IGES format). If somone has such...

29 July 2024 1,092 2 View

How can I use DFT-D3 correction ( Siesta version 5.0.1)?

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