What do i do when Gaussian 16 shows error during frequency calculation for lanthanides using mixed basis set?

I am trying to do frequency calculation after optimization calculations using mixed basis set for lanthanides SDD and 6-311++G(d,p) for other atoms with %mem=2GB. The error shows: Not enough...

21 October 2020 9,578 3 View

How to calculate bader charge transfer using quantum espresso?

Dear all, I want to calculate bader charge transfer of an atom deposited on a 2D material. How can I do that using quantum espresso?

11 October 2020 905 4 View

How to interpret Nyquist plots given by BODE 100 for charged and discharged cells ?

I have two Li-ion cells one charged and other discharged, same chemistry anodes and same manufacturer. I have Nyuist plots ontained by single sweeps in Bode 100 and also Frequency plots. How do I...

06 September 2020 1,122 1 View

Is it possible somehow to maintain Maximum Power Point of solar panel while not using the buck-boost converter?

I am looking for a method or component that helps maintaining MPP while charging battery from solar power without using buck-boost converter (may be a cheaper device can be used) Can anyone give...

01 June 2020 9,922 5 View

How can I study the clusterization Vglut1 puncta in cultured cells ? Do you know exactly the dimension of one single Vglut puncta?

Hi guys, I ave to study the Vglut1 puncta density/clusterization in cultured cells and see any differences between 2 different conditions. I noticed that in treatment B Vglut puncta appear...

29 March 2020 6,120 1 View

What are some real world dataset examples where semi-supervised learning can be/has been used?

Few days back I first heard about the semi-supervised learning from this amazing book called "Introduction to statistical learning". So, I started some digging. Gathered some idea about...

24 February 2020 8,597 3 View

How to apply supervised machine learning when the target label depends on multiple input rows?

The problem is a multi-label classification problem. Now, I know how to train and classify using single row with several attributes. For example, if the dataset looks like the first table from...

01 February 2020 3,084 8 View

How to implement VM scheduling algorithm in matlab for testing and comparing among them? How to collect dataset for vm scheduling?

I'm trying to implement and compare the VM scheduling algorithm using MatLab. I need a clear path, how to get a dataset. Is there any special tool that I can use to implement and simulate VM...

30 December 2019 851 3 View

What should be the y-axis title: Kubelka-Munk or absorbance if I convert Uv-Vis diffuse reflectance spectrum to absorbance by Kubelka-Munk function?

I have collected the UV-Vis diffuse reflectance spectrum of a insoluble powder sample and then converted to absorbance by Kubelka-Munk function. What should be the y-axis title: Kubelka-Munk or...

21 July 2018 5,343 8 View

I want to ask from experts that is it possible to determine % of drug encapsulated nanoparticles by flow cytometry?

My question is if we load a fluorescent compound as a model drug, Is it the right way to analyze the nanoparticle by flow cytometry?

31 October 2017 1,789 3 View

error in running a model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

error in modelling model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

MGL tools

20 June 2021 0 0 View

i have some problem with chtMultiRegionSimpleFoam

--> FOAM FATAL ERROR: Maximum number of iterations exceeded From function Foam::scalar Foam::species::thermo::T(Foam::scalar, Foam::scalar, Foam::scalar, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar) const) const [with Thermo = Foam::hConstThermo >; Type = Foam::sensibleEnthalpy; Foam::scalar = double; Foam::species::thermo = Foam::species::thermo >, Foam::sensibleEnthalpy>] in file /home/ubuntu/OpenFOAM/OpenFOAM-4.1/src/thermophysicalModels/specie/lnInclude/thermoI.H at line 66. FOAM aborting #0 Foam::error::printStack(Foam::Ostream&) at ??:? #1 Foam::error::abort() at ??:? #2 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::calculate() at ??:? #3 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::correct() at ??:? #4 ? at ??:? #5 __libc_start_main in "/lib/x86_64-linux-gnu/libc.so.6" #6 ? at ??:?

24 March 2021 0 0 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

What is the production process of CaFe ferroalloys?

I looking for ferro calcium production process

03 March 2021 1,755 4 View

Resistor definition in Piezoelectric bimorph with ANSYS workbench

Hello, good day! I am trying to simulate similar bimorph piezoelectric harvester with below commands. However, the output power doesn't change with resistor value. Please help to find the reason. ET,10,CIRCU94,0 !SET UP RESISTOR R,1,100000 !RESISTANCE VALUE TYPE,10 !SET ELEMENT TYPE E,1,2 !CREATE RESISTOR BETWEEN NODES 1 AND 2 Thanks in advance Regards,

02 March 2021 0 0 View

I am interested in medicinal chemistry field, which books are highly recommended to learn from?

I am at the beginner level in drug design and drug discovery, and I am interested to learn more about this field. Which books are highly recommended to start from and gives me all essential...

02 March 2021 8,437 2 View

Do you know any MR image dataset?

I would like to research on MR images (0.5T and 3T). Can you please suggest some websites that I can download dataset including both 0.5T and 3T MR images? Thank you.

02 March 2021 7,735 3 View

Which is suitable for use with Python? MySQL or SQL Server?

Which is suitable for use with Python? MySQL or SQL Server? What is your suggestion?

01 March 2021 3,422 3 View