To calculate band structure in high symmetry point standard POSCAR is needed.
En suivant toutes les étapes mentionnées sur (ajouter une recherche) il me signale erreur, ressayer, j'ai essayé plusieurs fois, sans succès, toujours il me signal erreur, ressayer
02 August 2024 9,719 1 View
As one can read in numerous papers on this matter, the dislocation density is derived from the dependence of peak broadening on the diffraction angle, that is, on considered reflections. Thus, to...
28 July 2024 6,496 5 View
Hi everyone, I am working on a curved domain in which a ship is situated in the middle (geometry is given below). In my understanding the general fluid flow is parallel to the x axis from inlet to...
25 July 2024 9,058 4 View
I have been looking for the principle of Cysteine-carbazole-sulfuric acid reaction in research papers and books, but couldn't find it. This reaction is mainly used for the quantification of...
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with secondary data collected from central bank to know the impact of digitalization in banks profitability, how can its impact be more precisely measured through econometric tools.
21 July 2024 7,295 10 View
Hi everyone, I am working on a simulation involving restricted canal with ship using DFBI. I am facing reversed flow in my outlet boundaries as the DFBI is released (In 1.25s). Is there any...
17 July 2024 7,032 1 View
I try to understand the ESP mechanism working. What kind of sensors it has, Is it necessary to modify or boost its mechanical ?
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Mangroves were reported to eat into limestone atolls like so much cake - but could it have been diatom partnerships at mangrove roots that ate into the rock? If gypsum formation is a clue, how...
12 July 2024 159 2 View
As flaviviruses genome is very frequently prone to mutation hence it is very difficult to clone whole genome inside vector what kind of vector and cells can sustain such amount of cloning...
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I am working on cloning of a gene fragment inside my vector everything we tried to do correctly like making insert and vector with utmost care but after ligation the morphology of colonies seems...
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Hi, Recently I was running VASP to calculate the spontaneous polarization of my alloy structure. I followed the instructions in this PDF wrote by Dr. Nabin (Nabaraj) Pokhrel, below is my INCAR...
07 August 2024 486 5 View
I have modelled a steel structure using beam elements in Abaqus and attached to this structure reinforced concrete slab. The analysis that I am making is heat transfer of the structure. The...
07 August 2024 1,028 0 View
I am attempting to conjugate PEG to an amino acid at the C-terminus, for the purposes of producing nanoparticles. I have been told that PEG modified with amine groups can be used for this purpose,...
31 July 2024 2,033 1 View
Dear all! Oxygen vacancies do raise negatively the Fermi level by increasing the negative charge in the semiconductor crystal structure. In the case of n-type semiconductors, I wonder if this...
30 July 2024 8,339 2 View
Sure, here is the translation: I have a 3D orthogonal woven composite structure where warp, weft, and binder yarns are oriented in three directions. After modeling these yarns and the matrix in...
28 July 2024 8,169 0 View
How to build a heterostructure in VESTA/VASP of two pristine materials having different space group and structure?
27 July 2024 739 2 View
The catalytic effect of retained austenite refers to the phenomenon wherein quenching steels with a small amount of retained austenite, when subjected to tempering at a specific temperature...
27 July 2024 8,508 0 View
Hey All! I am wondering what might be wrong with my band structure. I did the calculations using VASP and plotted the results using Origin. Although I have tried changing various input...
25 July 2024 2,920 11 View
Best method and number of embryos for extracting RNA from pig morulae?
21 July 2024 4,398 1 View
I want to calculate the spin texture for the electronic band structure obtained from SOC calculation. Is there any way for calculation of spin texture using quantum espresso??
19 July 2024 8,571 1 View