In DFT or HF, is it more expensive to calculate the H matrix or to diagonalize it?

I was wondering: in common DFT (or Hartree-Fock) algorithms/codes, and in particular in solving the Roothan equation, what is the most computationally expensive part: 1- evaluate all the terms of...

01 February 2021 396 2 View

Warning in Lavaan, variance-covariance not positive definite!, model is not identified?

Dear colleagues, I am new to R, I have been using Amos for conducting CFA but came to learn that when dealing with Likert scale, Lavaan in R is a better tool to do such analysis. I started using...

30 December 2020 5,608 3 View

How can i figure out whether nanoparticles in my synthesis crosslinked or not?

i prepare protein nanoparticles. in one of my synthesis i use trifle amount of crosslinker and the nanoparticles stick in the bottom of plate. how can i understand that nanoparticles become...

03 December 2020 559 8 View

What is the best solver in OpenFOAM to study melt-water interaction?

During a severe accident in a nuclear reactor an energetic molten fuel/coolant interaction could happen, where a multiphase flow of a steam-water mixture in a region which contain drops of a...

29 November 2020 8,376 2 View

How can we define columns in 3D PLAXIS model for buildings existing near the excavation?

I started by a model using 3D PLAXIS to study the effect of deep excavations on existing buildings. The building was simulated as a surface plate with a surface load. Now I'm trying to do it as a...

29 November 2020 3,198 4 View

How to read forces from a file and apply them to a specified nodes in ANSYS APDL?

I want to apply different forces for every node. These force values are saved in .txt or .csv file. Can anybody help me to do that using APDL command. I attached Ansys input file for my model and...

15 November 2020 2,883 1 View

Where can I find off targets for Apis mellifera?

I would like to find off target sites for my sgRNA, however the more commonly used off target finders do not include apis meliifera, is there an application or website that would allow me to do...

09 November 2020 3,463 1 View

What is the best method to sterilize hydroxyapatite nanoparticles?

Powder insoluble

08 November 2020 509 3 View

Wrong cell dimension (cosAB)?

All input files with bravais lattice that contains an angle doesnt run in my Quantum espresso. i even tried running them in my friends laptop but the crash file displays the same problem. i hope...

03 November 2020 2,722 1 View

How Abaqus can generate lumped mass matrix with non zero values only at the diagonal ?

Hi everybody I generated mass matrix by Abaqus, but it has nonzero off diagonal values. I need to get lumped mass matrix with nonzero values only at the diagonal. In Ansys I can turn Lump on...

28 October 2020 5,960 4 View

Energy minimization in LAMMPS using NVT ?

How do I do energy minimization in lammps with NVT ensemble ? I am using the following command and it does not seem to work. It stops at extremely high energy and gives me the error zero search...

01 March 2021 2,294 3 View

How can I edit suggested publications?

Hi there! I regularly receive suggestion about papers and authors that are totally out of my area. Does anybody know how I can fix this? Thank you!

01 March 2021 9,574 4 View

Can you perform the Murexide test on samples fixed in Formalin?

I have a fixed sample and would like to use the murexide reaction to test for uric acid composition. I no longer have fresh samples

22 February 2021 1,328 1 View

Monte Carlo simulation?

Hi, i am conducting a Monte Carlo simulation for my new distribution but the MSE values are increasing while the sample size increase, does any experience this issue before and what should i do...

22 February 2021 3,680 4 View

How would I use a glycerol fixation to fix whole brain Drosophila tissue?

I need to take IF images with DAPI on a confocal but I need to use a glycerol fixation. Has anyone done this method before, if so how was it done? Thank you.

21 February 2021 3,081 3 View

Is there any general protocol for immunohistology staining?

I have some fixed slides of tissue and need to do some staining, but I am not sure where to start. There are many protocols online. Any suggestions?

17 February 2021 3,062 4 View

How can a reference point be fixed to an attachment point in Abaqus?

I am currently trying to copy an assembly feature, that is present in an old version of the model I am using, onto a new model. The feature is a reference point that is fixed to an attachment...

16 February 2021 8,872 2 View

What test should I use?

15 February 2021 911 5 View

What kind of tape can be used to fix the samples on an XRD machine?

I have a very thin sample, the thickness is around 1 mm. I want to do X-ray diffraction measurement on the thin side of the sample. What kind of tape can I use to fix the sample, and will not...

13 February 2021 4,153 3 View

In Method prepreation, what is the meaning of (Fixed at), and the meaning of (mol% of somthing) and how to find the volume?

I need an explanation of this sentence: Firstly, SnCl4.5H2O with fixed at 0, 1, 3, and 5 mol% of TiO2 and Titanium (IV) isoproxide (TTIP) with fixed at 10 ml were mixed into 150 ml of ethanol...

10 February 2021 3,291 2 View