How we can correct the measured broadening line widths for the instrumental contribution if we use Voigt function in describing diffraction profile?

When describing diffraction profiles using a Lorentzian profile function correction of peak broadening is: B=B(measured)-B(instrumental) whereas using Gaussian profiles...

11 December 2016 7,465 6 View

How to use Hioki LCR meter IM3536 for impedance spectroscopy measurements a solar cell?

what the parameters should i get from the LCR meter and what equation should to be used for impedance spectroscopy measurements a solar cell

04 May 2016 2,974 8 View

How to convert an AtomEye configuration file(CFG) to CIF or XYZ file?

I have a CFG file and i want to convert it to cif or xyz file.

08 September 2014 9,926 1 View

How can i convert a POV-Ray files to a movie?

i have a PoV-Ray files of my Sample Structure and i want to make a movie from these files.

08 September 2014 3,487 1 View

What is the best Pans used to do DSC measurements on Ge-Se-S glasses?

06 July 2014 502 5 View

Is anyone working on modeling and simulation of amorphous materials using RMCA or RMC++ software?

How we can start a good data file which would control the simulation?

06 July 2014 2,451 1 View

Using envelope method to determine the optical constants of thin film?

I started working on using the envelope (Swanepoel 1983) method to obtain the optical constants, I was able to calculate the refractive index n and the thickness, but there are some problems such...

01 February 2014 1,777 12 View

Can someone advise on obtaining the Pair Distribution Function (PDF) of amorphous material?

What is the mean reason for the non-oscillating of structure factor around one and the reduced structure factor about zero at high k values?

07 August 2013 7,026 5 View

Does anyone use PDFgetx2 ?

I have x ray data in text file contain two column the first is the diffraction angle(2 theta) and the second is the intensity and I don't know how to use this file as input file

06 July 2013 1,549 3 View

How can I solve two simultaneous nonlinear equations in matlab with Newton-Raphson method?

I have two simultaneous nonlinear equations like this X^2-3cos(y)-A=0 2x+y^3+B=0 Where A and B are vectors, anyone have a m-file solving problem like this by Newton-Raphson method?

05 June 2013 5,679 1 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

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MGL tools

20 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

How climate change will influences human and animal behavioral change?

The role of climate change influencing the human behavior as well as economics interest

01 June 2021 0 0 View