How to get rough estimation of the concentrations of Oxygen and moisture inside the glove box?

Dear colleagues, I was just wondering if you can suggest a good method to get a rough estimation to the concentration of O2 and H2O inside the glove box as unfortunately, our glove box doesn't...

17 February 2021 1,012 3 View

Is it possible to remove the mucus covering a fish's tongue once fixed in formalin 4%?

Hello everyone, Is it possible to remove the mucus covering a fish's tongue once fixed in formalin 4%?

29 November 2020 2,580 1 View

Simulator for Wireless sensor network?

I am looking for a wireless network simulator to test a query classification algorithm. I have already tested NS-2 (https://ns2simulator.com/ns2-download/), It's very complicated

18 November 2020 5,383 6 View

What are the factors that can improve the open circuit voltage of organic solar cell?

20 September 2020 8,237 5 View

How to reduce the series resistance and increase the shunt resistance of organic solar cell?

Hi dear colleagues, I am fabricating an organic photovoltaic device with the structure ITO/PEDOT: PSS/ P3HT: PC70BM/ Al, and the obtained IV relationship was found to be linear rather than...

19 August 2020 4,945 5 View

Is it possible to detect XRD spectrum to a thin layer (about 50 nm) of ZnO spin-coated on glass substrate?

I am trying to get ZnO thin film by spin coating on glass substrate, the procedure below was followed: 1- Mixing 0.109 gm of Zinc acetate dihydrate (> 99% )with 32 micro Litre of ethanolamine...

29 June 2020 9,035 28 View

Are there any modern papers about small hydro-power stations or run of river station?

dear all I need modern papers about operation of small hydro-power or run of river regards

12 September 2019 2,492 3 View

Is it possible to simulate a heterogeneous 3D architecture with GEM5 simulator ??

Is it possible to simulate a heterogeneous 3D architecture with GEM5 simulator ?? how can we create a layer of memories and a layer of processors ?

15 February 2019 2,511 1 View

Hello, I want to ask. Why is the thermodynamic calculations for some compounds not calculated by gaussian 09?

Hello I want to ask, What distinguishes the spectrum of nanoparticles ?

20 November 2018 8,960 3 View

Is it suitable to measure true density for oxide nanoparticles?

Is there a specified way to measure oxide Nano powder true density? if I have a known Nano powder weight is it possible to measure true density if I have a known liquid volume and the powder will...

15 March 2018 7,643 4 View

How to get the vector of a specific vibration mode in phonon dispersion?

For example, I have this phonon dispersion(Fig. 1), and now I would like get vector of atoms which describes TA1 in P. I know v_sim can show vibrational animation of specific mode, but I do not...

20 February 2021 4,332 4 View

Can anyone suggest a numerical method to calculate perimeter of a contour in charge density contour maps?

Hi i have drawn the charge density contour maps using VESTA taking CHGCAR files from VASP. Now, What I Want is that I need to know the perimeter of each contour appearing in the cross section 2D...

04 February 2021 3,637 1 View

Why VASP MD Crashes with ALGO = Fast ?

Hi, I'm doing molecular dynamics on a 168 atoms system with a 20 A vacuum. To speed up my calculations, I set ALGO = Fast tag in INCAR, but surprisingly VASP crashes momentarily!. I have done a...

25 January 2021 9,876 3 View

Why it is required to optimize a unit cell generated from cif lattice parameters and atomic coordinates during ab initio solid state calculations?

A cif file represents a unit cell with minimum energy. My question is, in the start of any ab initio calculation for unit cell generated from the cif file, why we are advised to optimize cell...

19 January 2021 9,883 3 View

Software for bond manipulation with POSCAR (VASP) files?

I am calculating adsorption energies of molecules on surfaces using VASP. Every time I want to modify the starting configuration of the molecule, I am doing this long process of converting...

19 January 2021 2,624 3 View

Exportation of Effective Potential using DFT on VASP?

Hello! I am a student and I am new to using VASP. My question is when performing DFT, is it possible to export the effective potential (Veff(r)) to be able to use this for calculations in MATLAB...

18 January 2021 9,442 1 View

How VASP perform selfconsistent noncollinear calculations?

Selfconsistent noncollinear magnetic calculations can be done in VASP. I am wondering how VASP update the spin directions at each local site. For molecular dynamics, VASP search the next...

16 January 2021 1,398 3 View

Recognition of Molecules from a file containing molecular dynamics trajectory?

Can anyone recommend a good code/software/implementation to identify the change of molecules (bond creation/break, number of molecules at a given timestep, etc.)? I am currently working with XYZ...

12 January 2021 1,655 4 View

How to relate relaxation time values obtained from different equation?

I tried to fit the frequency vs Dielectric constant and f vs Dielectric Loss graph with HN equation. I got different Tau (relaxation time) values from the fittings of both graphs. What I have to...

12 January 2021 8,467 6 View

DFT Optical calculation and plotting of Real and imaginary Permittivity.??

Dear DFT Community, i have calculated Frequency dependent optical permittivity of Au using (VASP) my INCAR tag includes LOPTICS=.TURE., my OUTCAR has expected frequency dependent IMAGINARY...

30 December 2020 9,543 9 View