How to Rotate a Standard Cell to Align a Specific Plane with [001]?

dipole
Messages
553
Reaction score
151
Hi, I have a standard cell which I would like to rotate. I would like to rotate it in such a way such that when I define some plane in the unrotated cell [hkl] that this same plane corresponds to the [001] plane in the rotated cell. I essentially want to keep the same unit cell, just rotate the atomic positions inside it so the cleavage plane I have defined corresponds to the face of the cell.

How could I go about doing this? Any help, even just a link to more info is appreciated!
 
Last edited:
Physics news on Phys.org

Thread 'Stability of persistent currents in superconductors regardless of temperature'

From the BCS theory of superconductivity is well known that the superfluid density smoothly decreases with increasing temperature. Annihilated superfluid carriers become normal and lose their momenta on lattice atoms. So if we induce a persistent supercurrent in a ring below Tc and after that slowly increase the temperature, we must observe a decrease in the actual supercurrent, because the density of electron pairs and total supercurrent momentum decrease. However, this supercurrent...
View full post »

Thread 'Instantaneous dipole moment and orbitals'

Hi. I have got question as in title. How can idea of instantaneous dipole moment for atoms like, for example hydrogen be consistent with idea of orbitals? At my level of knowledge London dispersion forces are derived taking into account Bohr model of atom. But we know today that this model is not correct. If it would be correct I understand that at each time electron is at some point at radius at some angle and there is dipole moment at this time from nucleus to electron at orbit. But how...
View full post »

Similar threads

I Bloch Waves within Tight Binding Approximation
Replies
1
Views
2K
Diffraction Question: 0 in 1st Place on Planes Normal to Beam
Replies
16
Views
2K
A How can I overcome alignment issues with a bow-tie cavity?
Replies
3
Views
2K
Question about Bragg diffraction
Replies
6
Views
6K
Calculating the Volume of a Diamond Unit Cell
Replies
4
Views
17K
I Standard crystallographic notation confusion
Replies
2
Views
2K
Model Fuel Assembly w/ Gamma Source: Solving a Sampling Problem
Replies
7
Views
3K
I Reconciling smooth spacetime with variable, rotating, earth gravity
Replies
4
Views
1K
A How Does U(1) Double-Cover SO(2) for a Specified Angle?
Replies
2
Views
2K
I Question about a Rotating system with mass moving inwards
Replies
19
Views
2K

Hot Threads

Recent Insights

Back
Top