Which software is better for refinement either Fullproof or Maud?

More Kotagiri Gangaprasad's questions See All

What type of analysis we can do to except band gap measurement using UV-visible spectroscopy?

I would like to do first principle studies(using DFT) for this technique to compare experimental and theoretical value. Thank you.

09 October 2014 1,795 3 View

How to study the Dielectric and Ferroelectric properties using PwScf calculations?

I am good at DOS, Band structure and phonon studies. I would like to extend my studies to Dielectric and Ferroelectric studies. How to find the polarization in the material?

07 August 2014 10,060 5 View

Does any one have Video lecture on Rietveld Refinement using Fullproof Software?

I keen to learn Rietveld Refinement using Fullproof. If you have any type of information share with me. Thank you.

07 August 2014 5,275 0 View

What is the good software for nonlinear curve fitting rather than Excel and Origin?

04 May 2014 9,179 10 View

Does anyone know about DFT summer schools?

I want to attend DFT summer schools. If anyone knows please let me know the details. Is there any website for DFT related schools?

02 March 2014 9,989 0 View

How can we determine if a material is an Insulator or a Semiconductor?

My material band gap is 2.86 eV. I am confused as to how to confirm whether it is a Insulator or Semiconductor. In literature it has not been made clear.

01 February 2014 10,028 10 View

Can any one help with dielectric relaxation and conductivity studies?

I am new to this area. I would like to study these concepts from beginning onwards.

11 December 2013 3,591 9 View

What software to use for Raman and IR theoretical modes?

Is there any free software to find Raman theoretical modes? I know Gaussian 3 package but it is a licensed version.

10 November 2013 567 3 View

Vibrational frequencies - can anyone help?

How to find the vibrational frequencies using Pwscf? I have taken Experimental Raman spectrum. I have to assign the modes (A1g, B1u,B2g and A2g etc) for each peak in spectrum. Example given below.

10 November 2013 6,037 25 View

I would like to know the ferroelectric perovskites names and their spontaneous polarization?

I would like to know the ferroelectric perovskites names and their spontaneous polarization.Could you suggest me any book or website?

10 November 2013 1,543 7 View

Short Synthesis of Graphene Oxide from Natural Graphite Flakes?

I am in search of a modified Hummer's method, which can be used to synthesis graphene oxide within 6-8 hours. As I am a student it is not allowed for us to work after 5 in the laboratory. So I am...

01 August 2024 8,368 2 View

CAD File of human's & rat's respiratory airways ?

Dear all, I am working on particle deposition in human's & rat's respiratory airways using CFD and I am looking for the 3D CAD file for my simulations (STEP or IGES format). If somone has such...

29 July 2024 1,092 2 View

Has anyone looked into the stability of FEM methods on curved meshed?

Google scholar isn't giving me any results on this

27 July 2024 595 2 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

How can I decrease the error of Rietveld method for phase quantification?

Phase quantification in steel contain BCC and FCC

20 July 2024 8,150 7 View

How to decide whether the refinement is correct or not, based on Rwp and Rexp factors by Fullprof?

One of the papers I read by Toby, where (title of the paper was "R factors in Rietveld analysis: How good is good enough?"), he tells us that to get good chi square value, you must have low Rwp,...

17 July 2024 9,668 4 View

What is wrong with my input file?

im studing gaussian 16 with reading paper about I-131 Metaiodobenzylguanidine in the paper "In a similar vein, nuclear magnetic resonance shielding values were investigated using the widely...

16 July 2024 6,040 4 View

Can someone help with the instrument configuration in Profex using Rietveld Refinement?

I am trying to configure the instrument in Profex but I can't get a chi-squared value below 9.65 for LaB6. This is the configuration of the equipment, which is a Bruker D8 Advance with a Linxeye...

14 July 2024 4,767 1 View

Anyone working in Model updating technique using FEM?

I am trying to model RCC beam with induced corrosion. How to model this beam using model updating technique.

14 July 2024 3,536 3 View

I came across oscillations in a pressure profile for a pipeline flow along the axis of a cylinder, how do I prove that these are not numerical err?

In terms of CFD, we often analyze the stability of the error using Von-Neumann analysis, especially for FDM based problems. Should we follow the same approach for a compressible fluid flow using FVM ?

13 July 2024 6,296 5 View

Marcella Bini

Hi, the softwares you cited are both useful for Rietveld refinement. Maybe Maud is more user friendly, while Fullprof requires a greater effort in the preparation of the input file.

Roman Nikolayevich Vasin

To do the refinement of what kind of data from which specimen? To be more specific, what kind of radiation do you use, do you have (or suspect) preferred orientations, residual stresses, magnetic phases, complex microstructures in your material?

Maximiliano Jesús Moreno Zapata

Fullprof! ...

M. Sukumar

Fullprofsuite (FPS toolbar)

Vasu Shanmugam

fullprofsuite is better choice