How can I Solve this problem using fullprof ? "space group I 4 1 is illegal reflective can't be generated "?

More Tasnim Ahmed Mahi's questions See All

I have get this error when i calculated the geometrical optimization for prco3, it takes 12 hours until gives this message in the outputfile?

Fatal error in MPI_Allreduce: Other MPI error, error stack: MPI_Allreduce(1628)......: MPI_Allreduce(sbuf=000002459254A180, rbuf=000002459F86A140, count=4851, MPI_DOUBLE_COMPLEX, MPI_SUM,...

09 August 2024 7,615 1 View

Why Do TDS and EC Increase with Larger Wastewater Volumes, While BOD and COD Decrease?

I have carried out MFC experiments on three different volumes, 50, 500 and 1000 mL of wastewater. Results after MFC treatment shows that TDS and EC are more in larger volumes of water i.e. TDS and...

09 August 2024 9,621 0 View

How to set the environment variable for incorporating the GD3 dispersion in G16 for performing calculations using the OPBE functional?

I have incorporated the dispersion effect for the OPBE functional by specifying the S6, SR6 and S8 parameters for GD3 in Gaussian G09 package. For this purpose, I have defined the environment...

05 August 2024 1,494 2 View

How prion can cause disease?

how is prion can cause disease

01 August 2024 250 1 View

Has anyone used Jump 2 before?

Jump 2 is the 1st app scientifically developed to measure your jump height.

31 July 2024 8,194 0 View

Help on understanding the implementation of Mori Tanaka method on MATLAB?

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

27 July 2024 5,916 1 View

What are the most PROBLEMS of HYBRID nanofluid in oil industry ?

explain your idea

23 July 2024 1,197 0 View

Can anybody provide me the Matlab code to plot the attached picture (Time-Frequency Domain), please?

Time-Frequency Domain

19 July 2024 8,031 2 View

"Hello, I am trying to find public datasets containing FTIR spectra of blood samples (both healthy and disease-related)?

These datasets will be used in the training of machine learning algorithms. Does anyone know any available data?"

17 July 2024 6,519 3 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

How do we evaluate whether the results of Fullprof Rietveld analysis are acceptable?

I am new to Fullprof and trying to perform a Rietvied analysis of a rare-earth zirconate sample. I was informed that one of the parameters to evaluate whether the results are acceptable is by...

10 July 2024 5,827 1 View

Can other standards be used to generate IRF file instead of LaB6,Si etc.,,, for Rietveld Refinement?

Hi, my research involves in ZnO synthesis. I have performed rietveld refinement of my samples and obtain a good fit using Fullprof suite software. However to obtain the crystallite size, the IRF...

07 July 2024 3,526 3 View

How can I find a way to make my chi2 to change in fullprof?

I am trying to refine my data in full prof and my chi2 is 0,834E11 and everytime i try to refine the data the plot deviates further from the actual data and the chi2 doesnt change. The first image...

02 June 2024 5,805 5 View

Rietveld refinement of nanopowder samples?

I have synthesized strontium based hydroxy-apatite by co-precipitation process. i have done the rietveld refinement of it. The problem is its chi-square is not less than 2, even though I have...

10 May 2024 2,566 5 View

How to judge that the k propagation vector obtained by nuclear phase refinement is correct?

fullprof

26 March 2024 6,499 0 View

Resizing Intensitites in XRD data for good Chi square value by Fullprof software?

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11 March 2024 7,680 1 View

Fullprof problem appears Sum(Iobs)=0. for one of the phases: have you really reflections ?

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How to determine the doping position for multi atom doping using fullprof?

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19 February 2024 5,507 3 View

Is this an error or not an error in FullProf refinement technique?

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Amitkumar Rajgonda Patil

I think there is no such type of space group. So, please check the space group and put it in proper way as it is case sensitive.

Marcella Bini

It should be the space group number 80. Maybe you wrote it in an incorrect way, you can try to remove the space between 4 and 1...

Denghui Ji

Marcella Bini is right, and you can replace I41 with 80.

Nibedita Das

CHECK THE SPACE GROUP...