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Do you think can be any Uranium bearing rocks in Eastern part of Iran and western part of Afghanistan?

I want to know more about Uranium ore deposits in world.

11 August 2024 6,720 0 View

Do you think can be any diamond bearing rocks in Eastern part of Iran and western part of Afghanistan?

I want to know more about diamond ore deposits in world.

11 August 2024 2,167 1 View

What is the difference between mathematical R^4 space and physical 4D unit space?

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

Controlling for pupil light reflex when analyzing pupil size time course?

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

Strugglling with m6A dot blot any suugesstion ?

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

Do interactions between biosphere, carbon cycle, & water cycle impact global warming & interaction between atmosphere & hydrosphere?

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

How to get moment output in Abaqus Standart?

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 am trying to find phonon, and when i run calculations, there is error ?

how to fix this error, from phq_readin : error # 1 DFPT with the Blochl correction is not implemented I am attaching my ph.in file.

23 July 2024 4,649 2 View

How to eliminate imaginary phonon frequency in phonon dispersion of Coved Graphene Nanoribbons?

Dear all, I want to calculate the phonon dispersion of 4CNR-1-0 (structure is in Fig. 2 (b) in this article Designing coved graphene nanoribbons with charge carrier mob... ) and then calculate...

17 June 2024 6,911 2 View

Can the debye temperature calculated using elastic sound velocity be used in Slack model to find Thermal conductivity?

I am trying to calculate lattice thermal conductivity using Slack model. In Slack model the lattice thermal conductivity is proportional to (Debye temperature)^3. Can I use the Debye temperature...

11 June 2024 1,719 1 View

How to parallelize "Phonon Dispersion" Calculation in QE v7.2?

I am trying to perform ph.x calculations on lead-halide perovskite primitive cell with `8 8 8` k points in scf calculation and `6 6 6` q -point grid. The calculation is computationally expensive...

12 May 2024 6,276 0 View

Difficulty in reproducing Phonon Surface State calculation using Wannier Tools package ?

I am attempting to reproduce phonon surface state calculations using the Wannier tools package. In the first step, I aim to obtain the phonon tight binding Hamiltonian from force constants or...

01 May 2024 3,029 2 View

What causes bandgaps in periodic media?

I am aware that periodically layered media (if structured properly) can produce bandgaps, however I have never found a great explanation for this in the phononics case. Can someone please provide...

30 April 2024 9,681 4 View

Do the bottom layers of the slab need to be fixed when we use DFPT or finite displacement methods to compute the phonon spectrum of a surface?

When using DFPT or the finite displacement (also known as the frozen phonon) method to compute surface phonon spectra, it is generally necessary to perform high-precision optimization on the slab...

22 April 2024 8,385 0 View

How to read the atomic displacement in Phonon Calculation in QE?

I have a long-standing question that I hope you can help me with. In phonon calculations within QE, we obtain vibration frequencies and eigenvectors from the matdyn.out file. I am particularly...

07 April 2024 299 3 View

Can we use Density Functional Theory (DFT) to calculate the second and third-order force constants of a slab?

If we aim to compute the surface phonon lifetime of a Cu(111) surface, the second and third-order force constants are essential (to put in Boltzmann transport equation). However, to my knowledge,...

07 April 2024 6,677 4 View

We found a Raman peak in the silver powder around 1000 cm-1. What could be the origin of this peak?

As we know, for Raman spectroscopy, a change in dielectric constant is required w.r.t. phonons, which does not apply to metals. Therefore, pure metals are Raman inactive. Also, this 1000 cm-1 peak...

02 March 2024 1,856 4 View