How do I specify "num_bands", "num_wann" and "begin projections" in Wannier90 input file (.win) ???

23 February 2023 0 4K Report

I am working with GaN compound and I am facing problems in running "Wannier90" input file (GaN.win). The problem "Found a mismatch in P4nmm-90.eig" is showing after running the command "wannier90.x GaN".

More Swarup Ghosh's questions See All

Seeking Advice on Viability and Execution of Undergraduate Thesis Topic?

Hello everyone, I am currently developing a thesis proposal and would appreciate your input on its viability and how to effectively carry it out. My proposed topic is: "Does the perceived threat...

10 August 2024 8,992 0 View

To perform transfection with DharmaFECT Duo in AGS cells. Could you tell me what the ideal concentration is to avoid significant cytotoxicity?

I would like to perform transfection with the reagent DharmaFECT Duo (Horizon) on the AGS cell line. Could you please inform me of the optimal concentration to use without causing cytotoxicity in...

03 August 2024 3,851 1 View

What is meant by baseline of FTIR data?

I got comment on my FTIR data figure from a reviewer. The reviewer said "FTIR data in Figure should be repeated. there is no bassline." I made Y off set comparison graph of FTIR on OriginLab. Can...

03 August 2024 6,070 3 View

Z-average size from Dynamic Light scattering can it be lower than the original probe size?

Hi everyone, Recently I have been conducting Dynamic Light scattering experiments in a micellar solution at 5 and gel at 37 degrees of Celsius with latex particles of diameter 190-500 nm. While...

01 August 2024 1,168 4 View

GSH estimation assay: What is the right choice of standard?

Hi there, My question is: What standard curves should be used while estimating Tot GSH and GSSG by kinetic method using GR enzyme mediated recyling with DTNB chromophore? Actually I am following...

01 August 2024 8,217 1 View

What is Random Audit?

HI there, I've came across several articles discuss about random audit an Non random to tax evasion or compliance. Most of the articles is relating about effect of audit (random or non random)...

31 July 2024 5,309 7 View

Is the mentioned CV graph a valid one as this graph have only one peak prominent (reduction)?

I have used Prussian blue nanoparticles as a redox couple. The PBNPs have been made using only one salt precursor. Also, during scan rate studies, a small oxidation peak can be consistently found...

31 July 2024 9,697 0 View

How we can use lattice-based cryptography for construction of S boxes?

Please suggest basic literature on lattice-based cryptography. A kind response from the cryptographic community will be highly appreciated.

24 July 2024 6,291 4 View

I am working on III-V based tandem solar cells.Can anyone explain that solar cells work under forward or reverse biased conditions?

I want to know that n-doped side of solar cell is connected with positive or negative electrode.

20 July 2024 1,348 2 View

Can it is possible to find the cleaved sequence when a protein cleaved by a heamaglutanin protease (HA/P) by any bioinformatics tools?

Bioinformatics tools like peptide cutter

15 July 2024 6,453 1 View

AUX gas reading problem on QE with full MS and PRM method in one run?

Dear QE-users, In the method where full MS positive mode and PRM mode are used, we always get an incorrect auxiliary gas reading (41 instead of 25). This only happens in this method; other...

06 August 2024 4,953 0 View

People weight in Oaxaca Blinder Decomposition on R?

Hello guys! Do you have experience running a Oaxaca-Blinder decomposition on R applying person weights. How do you suggest doing it? I have a variable PERWT which gives more information on how...

04 August 2024 6,033 0 View

How to perform EEG source analysis on each trial of data separately?

Hello Everyone I have a question about structure for connectivity analysis on sources. My goal: preprocess and cut data into trials create headmodels, using template MRI file perform source...

30 July 2024 2,744 1 View

How to add Cr parameter in autodock?

When I run autogrid4 it says: autogrid4: ERROR: Unknown receptor type: "Cr" -- Add parameters for it to the parameter library first! Look forward to your reply.Thank you so much!

29 July 2024 488 0 View

Why running a restart analysis in Abaqus in Ubuntu OS gives an error as attached when running the same job in Windows doesn't give any error and runs?

I am trying to run a restart analysis, which imports deformed configurations of parts from a generated ODB file. It runs fine in Windows OS but when I try to run it in Linux OS, it is giving some...

29 July 2024 9,572 3 View

How to use Desmond in HPC ?

Our department has recently acquired an HPC (High-Performance Computing) system, and I'm thrilled to take my molecular dynamics calculations to the next level using Desmond. I used to run my...

28 July 2024 6,553 1 View

How can I calculate AlGaN/GaN HEMT Breakdown Voltage on Silvaco TCAD?

Hello, I'm newbie to TCAD. I wanna calculate Breakdown Voltage of AlGaN/GaN HEMT. But, my code shows just saturation. Could you please help me how to simulate Breakdown Voltage of my code? And...

25 July 2024 3,738 1 View

How do I run a dead well test for a QuantStudio 5 qPCR machine?

I am preparing to run a lot of samples on a 384 well plate and I wanted to test if any well in my PCR machine is dead so as not to lose any data. I would really appreciate help with how I can do...

24 July 2024 8,172 1 View

VECM Model: Positive/insignificant CointEq1 ?

Hello everyone, I am conducting

22 July 2024 8,085 11 View

Merge Intensity Data from 2 runs?

Hi, We have collected several images for two independent runs of an experiment using two different confocal microscopes and settings. Thus, the intensity values collected through ImageJ were...

22 July 2024 8,722 0 View