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Questions related from Endale Abebe Gudeta
I want to built a model crystal (if possible with strain) and then find its simulated XRD pattern using X'Pert HighScore plus software. I think this is possible but I don't know how to do it....
21 October 2023 6,176 4 View
I want to Identify the crystallite size distribution from XRD data, preferably without the use of software. Please suggest me any method. If the software is necessary I'm a user of X'Pert...
17 October 2023 9,775 5 View
Dear all How can I identify light hole conduction band (LCB), light hole valence band (LVB), heavy hole conduction band (HCB) and heavy hole valence band (HVB) from a band structure obtained...
21 August 2021 5,984 6 View
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...
03 October 2020 309 3 View
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...
02 May 2020 5,116 3 View
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...
29 April 2020 5,471 2 View
Still know I am running this nscf calculation twice i.e.,once to find the energy gap (Eg) and another for the Fermi energy (Ef). But I wont to know if it is possible to get both from single...
25 May 2019 8,149 2 View
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...
02 February 2019 4,101 6 View
Trying to compare my Rietveld refinement's GOF with that of Pawley fit, I couldn't find the "Heights Only" tab by following "menu Treatment > Profile Fit > Fit a Profile > Heights Only"....
04 August 2018 1,752 0 View
