How can I interpret an energy level that ovelap with both VBM and CBM in a band structure?

Dear All In the attached figure, which is a doped SnTe system, the Fermi level (Ef=10.123 eV) is found to cross the conduction band at the gamma point. It actually overlap with the highest...

02 October 2020 200 3 View

What can you do with PCR(Polymerase chain reaction) products?

Polymerase chain reaction, PCR, is an in-vitro technique for amplification of a region of DNA whose sequence is known or which lies between two regions of known sequence

19 August 2020 5,881 3 View

What should be the value of the total dipole moment of the CO2 molecule calculated by Quantum ESPRESSO?

I found the dipoles of CO2 calculated by Quantum ESPRESSO as : Computed dipole along edir(3) : Elec. dipole 0.3112 Ry au, 0.7909 Debye Ion. dipole...

01 May 2020 5,036 3 View

What software shall I use to build computer cluster? Do you know free software similar to OSCAR?

Dear All I am trying to build a computer cluster consisting of a master and some number of slave desktop computers, to increase the performance. I tried to use Open Source Cluster Application...

28 April 2020 5,399 2 View

Shall all the three criteria (etot_conv_thr, forc_conv_thr, cell) be satisfied to finish the relaxation calculation in Quantum Espresso?

Dear Sir I'm beginner for Quantum Espresso? I conducted this calculation using Quantum Espresso, but I observed that the final total energy is more than the etot_conv_thr but the total force...

01 February 2019 4,025 6 View

How can I produce Bayesian credible intervals for individual predictions for an exponential distance decay model?

I am trying to generate predictions for an exponential distance-decay model of a response variable (Y) varying with distance (D), i.e. Y = a*exp(-b*D). My problem is how to generate credible...

12 April 2014 665 4 View

Sample size and the reproducibility problem

The reproducibility problem widespread in many disciplines of science. The Editorial Board of The Journal of Neuroscience took a bold step. In the May 20, 2020 issue they wrote an illuminating...

01 January 1970 1,989 3 View

How optimize the Size Exclusion Chromatography?

Hello! I'll do a size exclusion chromatography, but I only have an open column, and I'll perform the peptide extraction from yeast, using buffer lysis (sodium phosphate 50 mM/NaCl 30 mM/DNAse and...

01 March 2021 2,215 2 View

No title

01 March 2021 3,905 5 View

What test should I use to compare two or three means, if data is not normally distributed but sample size is > 30 in each group?

I personally feel this as a most confusing question. As per my understanding, if sample size is > 30, and sample is skewed, we can still use paramteric approach, as it will follow Z...

01 March 2021 1,587 6 View

Is it necessary to report effect size (ES) in statistics of biomedical research given that we already report p values routinely?

Pls share your thoughts

01 March 2021 7,330 4 View

Why there are two peaks while using the mie plot of Silver nanoparticle?

Hi, I am trying to learn the theoretical modelling of silver nanoparticle using the Mie scattering theory. After that, I discovered a software named Mieplot developed by Philip Laven, where it...

25 February 2021 7,493 6 View

How to calculate Z (the number of molecules in a unit cell) for calculating theoretical density?

I am trying to calculate the theoretical density of my ceramics materials. I use the formula below to calculate the theoretical density: Theoretical density = (Molecular weight x No. of molecules...

24 February 2021 3,823 2 View

How to handle studies which report perfect effect sizes in a meta-analysis using Pearson's r?

I'm in the process of updating a meta-analysis and in one of the new studies, effect sizes are reported as Tau-U. Two of the effect sizes are reported as Tau-U = 1.00. I am using Andy Field's...

24 February 2021 2,265 3 View

Sample size determination for non-parametric tests?

How do I run a a priori sample size determination for non-parametric tests, like the Mann-Whitney U-test and the Kruskall-Wallis or other non-parametric tests that accord with the unpaired t-test...

24 February 2021 166 6 View

How to determine a priori sample size for t-test with unequal means?

I need to conduct a a priori sample size determinations for t-test with unequal means, but I don't know the sizes of the groups nor the ratio of both groups... Can I do a sample size determination...

24 February 2021 8,289 3 View

What are alternatives to factor analysis for a small sample?

My sample size is too small to conduct a factor analysis. I created my own psychometric scale for measuring Effectiveness of Support, which contains 38 items (4 sub-scales) Im really struggling...

23 February 2021 9,287 12 View