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

What's the best way to measure growth rates in House sparrow chicks from day 2 to day 10?

What's the best way to measure growth rates in House sparrow chicks from day 2 to day 10? Since, the growth curve from day 2 to 10 won't be like the "Logistic curve" it might not follow logistic...

03 March 2021 1,401 3 View

Do you think NCC and 3 year service at army base must be compulsory to make the students loyal and discipline to the nation?

Decipline and loyalty for nation is the need of today.

09 February 2021 6,928 3 View

Professional editing and proofreading services?

08 February 2021 7,901 6 View

Would you like to participate in our study by completing the questionnaire?

04 February 2021 7,661 1 View

How emergency and disaster management systems that affect the whole world during the pandemic process should be planned in the context of ITS?

The scope of emergency and disaster management systems should be redefined. Public transport and fleet management pandemics must be inclusive. Logistic management and Intelligent Logistic...

03 February 2021 3,132 2 View

How is it possible to rank variables using Likert scale?

Hello Everyone, I have a questionnaire of a 3-point Likert scale for an overall evaluation for a service, and several detailed attributes evaluation of that service. For example: Overall...

31 January 2021 9,612 8 View

What is the best and affordable method to make and distribute a survey?

What is the best and affordable method for higher education student to build and distribute a survey in the United States of America with consideration of the following points: There are no...

23 January 2021 9,342 2 View

What are your opinions on Small Software as a Service (Saas) Sustainability?

Hello, I am conducting a research survey for my dissertation to compare academicians' and practitioners' opinions on Small Software as a Service Sustainability). Would you kindly participate in...

19 January 2021 6,591 2 View

Proper RP-HPLC workup following peptide synthesis?

Hello, I've recently synthesized a short (17aa) peptide via manual SPPS. I was instructed to submit a small pipette tip's worth of material onto a capillary column to obtain a rough estimate of...

12 January 2021 9,432 3 View

Thresholds in MaxEnt ?

08 January 2021 4,769 3 View