How to calculate spin polarized dielectric function with VASP?

I am doing spin polarized calculations for one compound. I need to calculate the spin resolved dielectric function with VASP code. Can someone help me with this?

08 September 2017 1,648 2 View

How can I calculate ferroelectric spontaneous polarization of a non-centrosymmetric structure using vasp ?

I can calculate born effective charges using vasp. Using those how I can calculate the polarisation if I don't know the nearest centrosymmetric structure?

31 December 2016 8,978 0 View

How to code open-ended questions in SPSS?

Hello all, In SPSS I am going to code 2 open-ended questions. I have already read all the answers and I made a list of the most important categories to which I can code the answers. This question...

02 March 2021 1,757 4 View

Where can I find atmospheric measurement profiles (temperature, density, etc.) between 300-800 km altitude?

I am investigating thermospheric mass density profiles between 300-800 km altitude. I would like to compare the variability with other parameters, including temperature, electron content,...

01 March 2021 5,902 3 View

How to eliminate Steady state error from Reinforcement learning genetic algorithm code?

The following code (see 1st 2 images attached) is used to produce PID controller values that are designed to control the system (G). The code finds the PID controller values (noted as k) by using...

28 February 2021 6,560 14 View

How can we simulate an hyperelastic-viscoelastic behavor with Ansys APDL?

I am working on modeling and simulation of biomecanical material behaviour, I have succeded on simulating skin using anisotropic hyperelastic material, on APDL and in our lab's finite element...

28 February 2021 552 3 View

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25 February 2021 5,713 1 View

Modeling viscosity using model of Chung?

Hello, As part of simulation of gases mixture and water, I need to calculate viscosity of the fluid components and I am using relationships proposed by Chung et al. (1988). The irony is while I...

25 February 2021 8,053 5 View

Satellite orbit estimation using Recurrent Neural Network - what should I use?

Hello, I am a master's student studying in Yonsei Univeristy, Korea. I am trying to estimate the state of satellite, using Neural Network. Below is a simple flow of my study. 1. Train (t0 ~ t1)...

23 February 2021 6,383 3 View

How can I get the coding gene sequences of Hela and U2OS cell lines? Is mRNA sequence of Hsp90 alpha tissue specific??

I am looking for hsp90 mRNA sequence in Hela and U2OS cell lines, I have tried through ncbi but always the output is hsp90 in homo sapiens not in the specific cell line. Kindly, could any one...

22 February 2021 1,853 3 View

How to constrain genetic algorithm input u?

My real system (buck converter) can only take an input of 0 to 1 (duty ratio) and I need to constrain the system so the controller action keeps within this bounds. How can I do this? The code for...

22 February 2021 2,125 3 View

Difficulty in debugging code to correct error - TypeError: '<' not supported ?

I am trying with a Unet code ontained from net ...in tensorflow. When trying to predict the segmentation result with the trained and saved model with metric " iou" using "CustomObjectScope"...

22 February 2021 5,254 1 View