Any Expert of Quantum Expresso?

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Which type of compound does lamda max of 218 indicate in a uv-vis spectrum of a partially purified compound through column and TLC?

A crude extract of fungal culture using EtOH was subjected to column and TLC and partially purified compound was obtained. UV vis spectrum of the compound/s has max absorbance at 218nm. The...

11 August 2024 9,801 2 View

How combine yolo with Faster R-CNN?

I want a model that is balanced with accuracy or speed, faster rcnn has high accuracy while yolo have fast speed. i am thinking to combine them to get a hybrid model to achieve both speed and accuracy

02 August 2024 3,104 0 View

Conjugation of PEG-Amine to an Amino Acid Using EDC?

I am attempting to conjugate PEG to an amino acid at the C-terminus, for the purposes of producing nanoparticles. I have been told that PEG modified with amine groups can be used for this purpose,...

31 July 2024 2,033 1 View

What should be the sample container for the hydrothermal reaction in a microwave reactor at 180 °C for 10 min at the heating rate of 5 °C per minute?

Suggest one of them 1. Teflon-lined stainless steel autoclave: 2. Alumina (Al2O3) ceramic container

30 July 2024 7,326 1 View

Addition of EDTA during the synthesis of copper nanoparticles to prevent it from being oxidized?

I've attempted to use this method to synthesize copper nanoparticles. Copper nanoparticles can be synthesised using a variety of precursor materials. CuSO4, distilled water, NaOH, and EDTA are...

28 July 2024 8,027 3 View

Does soybean seed coat or cotyledon contain chlorophyl or flavonoids? What types? determined by paper chromatography? other methods (high school lab)?

Am trying to develop a lesson/lab to determine and compare antioxidant properties of soybeans of various colors. Preference would be low tech and low cost. Any assistance is greatly appreciated.

25 July 2024 7,498 2 View

Does post-translational protein modification cause devisions on observed pI verses calculated pI?

In running two-dimensional gel electrophoresis on bacterial protein, some spots that appear to match a protein sequence have a significantly more acidic isoelectric point than the calculated pI....

24 July 2024 8,076 3 View

Can I please ask why my samples from anaerobic bioreactor giving me different size PCR product even after multiple runs?

Hi everyone, I have extracted DNA from a biogas bioreactor using Qiagen kit and prep cDNA library then used this library as template to optimize primers for qPCR (taken from papers). Some of the...

23 July 2024 1,329 5 View

Swerling Characteristic functions?

Hello!!! I want to implement the Swerling characteristics functions (CF) directly in MATLAB without using its Fourier integral pairs...the Swerling CFs are actually Laplace Transform of the signal...

23 July 2024 4,925 1 View

Radar Detection Probabilities?

Currently I need to calculate detection probabilities (PD) from RCS data. Beta distribution parameters for this RCS data are calculated and will be used in Swerling0 Equation. The idea is based on...

22 July 2024 2,851 0 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 8,894 1 View

Challenges Faced by Freshers in IT Sector Recruitment?

i need to know what the key factors that the freshers are facing to get into the recruitment process, explain me clearly

31 July 2024 6,872 2 View

Could you try using PeptiCloud and see if it's a useful tool for biology research?

PeptiCloud (www.pepticloud.com) is a bioinformatic platform that allows researchers to organize and share their data for their projects as well as collaborate with others in one place. Through...

28 July 2024 4,762 2 View

What are the most effective strategies for integrating sustainability in your expertise?

What challenges do you think businesses or entities face in implementing these strategies? Thanks

28 July 2024 2,125 14 View

How can I use DFT-D3 correction ( Siesta version 5.0.1)?

Dear Siesta Users, I installed Siesta 5.0.1 and I want to use Grimme's D3 correction. According to the 5.0.1 manual, I could use a few parameters to include the D3 correction in the...

27 July 2024 5,748 0 View

I encountered a situation where the 16s PCR amplification worked perfectly with the DNA from the same sample, but using the same sample Don't working?

I isolated microbial DNA from marine water samples taken at various sites using the Qiagen Power Water DNA Isolation Kit, including a modified enzymatic lysis step. I encountered a situation where...

24 July 2024 9,688 0 View

MDCI module in Orca software?

Dear Researchers, My question is associated with the "MDCI" method in Orca. Please let me clarify my question using a simple example: Suppose we are going to perform CBS extrapolation using "!...

21 July 2024 1,632 0 View

I have two problems: 1) the enzyme is not immobilizing efficiently into the MOF material.. 2) the MOF itself has peak on 400nm by using p-NPA test.?

I am working on carbonic anhydrase immobilization into MOFs. I am facing problems with low enzyme loading.. The other issue is that when using p-NPA activity test to detect the activity of the...

20 July 2024 1,440 3 View

How can I calculate spin texture using Quantum Espresso for non-colinear case ?

I want to calculate the spin texture for the electronic band structure obtained from SOC calculation. Is there any way for calculation of spin texture using quantum espresso??

19 July 2024 8,571 1 View

How to fix install package meta in R?

> library(meta) Error: package or namespace load failed for ‘meta’ in loadNamespace(i, c(lib.loc, .libPaths()), versionCheck = vI[[i]]): there is no package called ‘numDeriv’

18 July 2024 3,536 0 View

Jhon W. González

Hi,

The last line of the output says that the quantum-ESPRESSO is waiting for input.

The best option is to use the command:

pw.x -i input.in > output.out

and if you are using a compilation with mpi and 20 threads, you should use

mpirun -np 20 pw.x -i input.in > output.out

Muhammad Kashif Masood

Thank you so much

I have installed it