Currently, i am working on DFT modelling in BURAI 1.3 (Quantum espresso). While i am running my simulation, error was appeared as shown below image?

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How to coat sln with eudragit s 100 and eudragit fs 30d ?

SLN

30 May 2024 9,109 0 View

How to insert the molecules in gromacs based on surface area of polymer molecules ?

And also how to compress the system based on surface area of system such that we get new gromacs file at different surface area of polymer molecule? i heard on the fly approach can be used but i...

16 April 2024 2,409 2 View

Which are the best ways to analyze the data of PM2.5 & PM10 in the atmosphere collected by gravimetric analysis?

14 April 2024 3,953 3 View

Mass scaling in ABAQUS ?

I need to perform mass scaling for a certain period and remove it in further analysis in Abaqus. Does anyone assist me with this?

04 March 2024 3,203 1 View

How to model a resistor whose resistance can be varied w.r.t time or temperature in MTALAB, kindly help?or do i get a ready element with such feature?

MATLAB,

25 February 2024 5,051 2 View

How do i represent electric ARC in MATLAB and measure its parameters like voltage, current and temperature, kindly help me with the circuit?

MATLAB simulink

22 February 2024 6,330 2 View

When crystal field splitting does not occur even in the presence of ligand?

For example: In M(^3+)VO4 (M = transition metal, Fe, Cr, .....) there are M^(3+)O6 octahedral group surrounded by (VO4)^3- tetrahedral group by corner shearing. Therefore, Is the crystal field...

26 January 2024 7,485 0 View

How we find purity of extracted cellulose using FTIR analysis?

What is the method for determination of cellulose purity using FTIR analysis which is extracted by waste biomass?

30 October 2023 2,409 1 View

What is the method for determination of purity of cellulose extracted from biomass?

There is method available for determination of chemical composition of cellulose. However , I cannot find any method which shows the purity of the cellulose which is extracted from waste biomass....

22 October 2023 7,461 5 View

What is the constitutive law used for powder bed particles interaction?

I am modeling a powder bed by using finite element method, In the mechanical behavior of the the powder particles depend on the friction between the particles and the sliding movent with blade.

11 October 2023 4,071 1 View

Is it possible to plot the atom-projected band structure using GPAW?

Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...

07 August 2024 267 3 View

Is changing the medium during the experiment overestimate the results?

I am experimenting with cancer and non-cancer cells in a 12-well plate for 4 days with a seeding density 1*10^4/well, however, I noticed that the control group growth rate slows down on D3. Should...

07 August 2024 2,283 2 View

Should I include H atom into C3N5 when i am doing DFT modelling?

Hi all, my experimental XPS results shown that my C3N5 sample consists of N-H bond, hence in this case I should incorporate the N-H bond into my DFT modelling. However, I do notice several papers...

07 August 2024 8,414 2 View

Weak DAPI staining after immunohistochemistry - how to improve?

After immunohistochemistry of previously fixed in PFA and EtOH and then frozen 20 μm sections of zebrafish brain, DAPI staining is very weak (right) compared to the same sections stained without...

05 August 2024 9,637 2 View

Are there any good simple systems or platforms to recommend?

In order to show people the beauty of control and enhance enthusiasm for learning control theories, are there any good simple systems or platforms to recommend?

05 August 2024 10,034 1 View

Why do exism movements become permanent dictatorship threats within liberal democracy thinking under majority rule-independent rule of law system?

Exism movements after gaining power within liberal democracies under majority rule and independent rule of law system become permanent dictatorship threats, but why this is the case is not clear...

04 August 2024 8,125 3 View

How to use Density Functional Theory to calculate carrier mobilities of solid system?

Hello, everyone. I have tried to determine carrier motilities of some materials, by Density Functional Theory, using Quantum ESPRESSO. There are a few methods to do it, like a package called...

04 August 2024 8,892 1 View

Dirty and clean?

Hi everyone I need a file with a dirty and clean potato image

04 August 2024 7,198 4 View

The Optimal Experimental Approach for Gene Function Analysis?

What is the most suitable experimental setting to understand the consequences of a particular gene: (1) targeted degradation of the specific transcription factor (TF) of the gene, followed by...

04 August 2024 6,265 1 View

Hello, regarding Mxene 2D titanium carbide?

I fabricated Ti3C2Tx using concentrated HF 40%, I plot an XRD as attached image below.. please let to know if I obtained it or not.

02 August 2024 6,789 4 View