Have some of you RG members tried Quantum Espresso program?

More Mostafa Y Nassar's questions See All

I am wondering How can I check a plagiarism of a manuscript freely?

Does any one have a free program or web site for checking the plagiarism of a manuscript? Thank you very much in advance!

11 December 2018 3,039 4 View

Do you please know a free way to download articles from ACS?

Excuse me, Please I need frequently to download papers from ACS web site (https://pubs.acs.org/); therefore, I am wondering do you know a way to download those papers freely. Our University does...

01 February 2018 423 0 View

Can we define a nanocomposite in nanomaterials as a mixture of two or more components that does not have chemical or physical interactions?

Based on our previous discussion, I am wondering, can we define nanocomposite as a mixture of two or more components which do not have any interaction (physical nor chemical) between each...

31 December 2017 10,169 14 View

I am wondering, what are the differences between nanohybrids and nanocomposites in nanomaterials?

Can anyone please tell me what are the main differences between nanohybrids and nanocomposites? Thank you so much in advance. Best regards,

31 December 2017 2,825 19 View

Can we define a nanohybrid in nanomaterials as a mixture of two or more components that have chemical or physical interactions bet. them?

Based on our previous discussion, I am wondering, can we say that nanohybrids, in nanomaterials, are mixtures of two or more components that have physical or chemical bonds or generally speaking...

31 December 2017 6,432 2 View

Excuse me, Do you have any English tutorial videos or lecture notes on using Gaussian Program (G09) in nanomaterials calculations?

If you have any English tutorial videos or lecture notes on how we can use Gaussian Program (G09) in nanomaterials calculations, I will be very thankful. I am interested in calculation of energy...

31 December 2017 8,591 2 View

Excuse me, Do you know a free program for building a crystal such as TiO2, ZnS, Fe3O4, ...etc for quantum calculations?

Please I need a free program working as a Crystal builder for solid inorganic materials for quantum calculations. Thank you very much in advance. Best regards, Mostafa

31 December 2017 7,721 1 View

Excuse me RG members, Do you know a good, simple, and free downloadable book on Chitosan derivative polymers?

Could you please if you have a free and good book on chitosan derivatives, share it if possible. Thank you so much in advance. Best regards,

31 December 2017 6,934 3 View

Excuse me RG members, do you know a good website to improve my English?

I am looking for an American web site to improve my English. I actually like and prefer the American English. Therefore, if please you know good web sites for improving the English language...

31 December 2017 7,375 7 View

Have anyone of you (RG members) used ABINIT program?

Is it reliable for quantum calculations and publication?

11 December 2017 5,166 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 8,894 1 View

I need the datasets of Microgrid for system identification?

Hi I am working on data driven model of the microgrid, for that, i need the reliable datasets for the identification of MG data driven Model. Thanks

02 August 2024 5,748 4 View

Should I remove an item from a scale to raise Cronbach's alpha and McDonald's omega or is it better to leave it if they are both over .7 already?

Hello! I have this scale which had 10 items initially. I had to remove items 8 and 10 because they correlated negatively with the scale, and then I removed item 9 because Cronbach's alpha and...

01 August 2024 4,606 7 View

I need a reliable source or an example supported by excel sheet to understand Fuzzy Vikor?

27 July 2024 5,916 1 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

Is a reliability test necessary in my survey on translations?

Dear all, I gave 116 respondents 18 translated sentences and asked them to indicate their levels of acceptance of these translations on a five-point scale. Some translations result from strategies...

24 July 2024 8,245 5 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

Can you suggest reliable procedures to get displacements from accelerations in frequency domain ?

I have identified many solutions. I need suggestion from somebody with application experience of this topic to identify the most reliable and robust procedure.

21 July 2024 3,465 5 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

What are the future implications of quantum computing on image processing algorithms?

Image Processing Algorithms, Quantum Computing.

17 July 2024 7,958 2 View