I am facing problems in doing phonon calculations in quantum espresso. If I could have a sample code and information about the Pseudopotential file, it could be a great help for me.
Hi, I hope that someone can help me with this task: I have 5 groups of participants which are numbered in SPSS from 1 to 5 (according to their group number) and are all under the variable group....
03 March 2021 506 3 View
I have prepared a manuscript in IEEE Latex template, but for some purpose, I need to prepare a word file as well (detailed format is not required). Compared to two column .tex file, one column...
02 March 2021 1,830 3 View
Light is inevitable for the process of photosynthesis reaction. Naturally sunlight plays the vital role for this process. Light may be of different colours like white, red, yellow, blue etc....
02 March 2021 7,890 2 View
An article that is published as a case study in the SJR listed journal. How much value is added to a researcher career? How it is evaluated by a scientific researcher/University admission...
02 March 2021 9,661 3 View
I would like to research on MR images (0.5T and 3T). Can you please suggest some websites that I can download dataset including both 0.5T and 3T MR images? Thank you.
02 March 2021 7,735 3 View
There are different kinds of food stuffs which we intake daily according to our requirements. Carbohydrate, protein, fat, mineral, vitamin, water are mainly working for the growth and development...
01 March 2021 831 2 View
L1 and L2 regularization
28 February 2021 4,187 3 View
Dear colleagues, I have found that many authors have a concern regarding their missing citation in RG because often citation in RG is lower than google scholars. I also missed some citation...
26 February 2021 928 6 View
It's a hydrolysis reaction, which may produce by either acid or base-catalyzed reaction. so can anybody help me with this, which condition is suitable for this reaction?
26 February 2021 1,760 8 View
I understand there are a lot of software programs that can simulate DED by going through specific modeling, simulation, and commands. For me, that was time consuming and results were not accurate....
24 February 2021 4,428 3 View
The Lanthanide contraction which is the decrease in ionic radii of the elements in the lanthanide series from atomic number 57, lanthanum, to 71, lutetium, is due to poor shielding of the 4f...
01 March 2021 2,272 4 View
I think we were all surprised at the first time we got to know quantum mechanics that the squared modulus of the wave function is the probability density of the existence of the particle? The role...
28 February 2021 6,282 9 View
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 recommend some any software/models available that can predict substance reactivities and the reaction yield under a specific set of reaction conditions process and proposing pathways to...
17 February 2021 2,383 3 View
Recently, I've been selected for an ICTP program named Physics of Complex Systems. But, I have a keen interest in Particle Physics & Quantum networks. As statistical mechanics involved in...
11 February 2021 699 3 View
At first, I did the scf run then nscf run followed by another run with calculation set to "bands'. And finally, using command bands.x < example.in > example.out to post-process the data, I...
10 February 2021 7,970 2 View
Does anyone know of applications of multiple sums of a sequence? I know of the Multiple Zeta values (which is a multiple sum of 1/N^s). This has multiple applications in quantum physics, QED,...
08 February 2021 8,047 12 View
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
Hi why we are using refractive index of solvents when calculating quantum yield in solvent. What is the effect of refractive index to quantum yield?
17 January 2021 8,848 5 View
I have tried BoltzTrap, and EPW but I'm not sure whether Boltzmann Transport Equation is a right approach for a complex system (semi cond. + an Oxide layer or even the semiconductor itself). Also...
11 January 2021 4,597 4 View