Does anybody know how to run Spin Orbital Coupling In VASP 5.2?

More Avanish Mishra's questions See All

I need JCPDS file of LSFCO nanomaterial. Can anyone provide me?

Require for Rietveld refinement in XRD.

08 August 2024 3,081 2 View

What is the solvent for 8YSZ nano material?

I need to do some experiment with it in liquid form.

07 August 2024 613 3 View

Can usage of AI tools like chat GPT in research work is recommendable ?

AI tools like ChatGPT can enhance research work significantly when used responsibly and in conjunction with thorough human oversight.

05 August 2024 1,842 3 View

How to know the b axis of a single crystal?

How to apply magnetic field parallel to b axis of any crystal

29 July 2024 4,083 2 View

What is the difference between Avg Grain size(EqCA) Equivalent Circle Area method and Avg Grain size(Surf) analyzed with the ATEX software?

Large difference in Grain size between the average Grain size(EqCA) Equivalent Circle Area method and average Grain size(Surf) is seen after analyzing the grain size map from ATEX software .

01 July 2024 5,448 3 View

Has anyone used eric primer for fingerprinting of bacterial isolates?

Hi I am trying to do fingerprinting of rhizobial isolates with the help of eric primer..I prepared a master mix..10x buffer-2.5ul dNTP(10mM) 2ul MgCl2(50mM) 1ul Taq(5U) 0.2 Template 3ul and Eric R...

14 June 2024 981 0 View

Why a signal (EM wave) atteuates exponentially when travelling in a medium, not inversely or cubucally?

E(x)=Eo exp-g.x , g is complex propogarion constant. Why not: E(x)=Eo/ x2 ; or E(x)=Eo / x

13 June 2024 3,068 11 View

Anyone is working on Artificial Neural Networks (ANN) in research??

Anyone is working on Artificial Neural Networks (ANN) in research?? I am willing to learn about it is there any platform/workshop/course for free regarding the same! Also I’m looking for this for...

23 May 2024 7,796 4 View

Which institues have ICP-MS instrumentation facility particularly in Delhi, India?

Can anyone please suggest that which institues have ICP-MS instrumentation facility particularly in Delhi, India? Thanks and Regards

16 May 2024 9,238 0 View

How to converge temperature in Silvaco Atlas?

Hi, I am facing a temperature convergence issue in Silvaco Atlas. At the threshold voltage the temperature is not converging. I applied given models models consrh bgn FLDMOB HCTE MASETTI...

02 May 2024 3,059 0 View

How do I conformally do PR spin coating on trench structure?

I did PR spin coating on trench structure. I used AZ P4620 PR and the thickness or PR is around 11um. The substrate is Si. And my trench structure depth is 141um(negative way). Even though I...

08 August 2024 2,298 0 View

VASP recognize my insulating alloy structure as not insulating?

Hi, Recently I was running VASP to calculate the spontaneous polarization of my alloy structure. I followed the instructions in this PDF wrote by Dr. Nabin (Nabaraj) Pokhrel, below is my INCAR...

07 August 2024 486 5 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

Stability of the Solar System: Insights from Einstein’s Equations ?

The stability of the Solar System is a complex subject that blends the classical framework of Newtonian mechanics with the modern insights provided by General Relativity (GR). Understanding this...

07 August 2024 2,569 1 View

Can't spin-orbit coupling(SOC) be included in optical properties calculation in CASTEP?

I am currently using CASTEP version 2020. When I want to run optical properties calculations with spin-orbit coupling(SOC), I encounter the following error in a pop-up window before the job gets...

02 August 2024 2,890 0 View

How to build a heterostructure of two materials having different space group?

How to build a heterostructure in VESTA/VASP of two pristine materials having different space group and structure?

27 July 2024 739 2 View

Reason for discontinuities in my Band structure?

Hey All! I am wondering what might be wrong with my band structure. I did the calculations using VASP and plotted the results using Origin. Although I have tried changing various input...

25 July 2024 2,920 11 View

What is single absorption ESR spectroscopy ?

In the context of Electron Spin Resonance (ESR) spectroscopy, under what conditions is an absorption spectrum considered to be a single absorption spectrum?

25 July 2024 2,325 1 View

What is human-computer interaction (HCI)?

22 July 2024 10,056 2 View

Is it possible to run the AIMD within a system using virtual crystal approximation (VCA)?

I want to study the thermal properties of a mixed system which is constructed by virtual crystal approximation in VASP. When I try to run the ab initio Molecular Dynamics of this system in VASP, I...

19 July 2024 6,569 3 View