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Matter Modeling
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UJM
  • Member for 4 years
  • Last seen more than 1 year ago
  • Varanasi, Uttar Pradesh, India
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I wish if I were in Shaolin Temple learning martial arts!

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question
21
Is it possible to calculate the Curie temperature for magnetic systems?
Dec 7, 2020
question
14
How to do spin polarization calculations using Quantum ESPRESSO?
Sep 22, 2020
question
13
Si energy band values are not matching with literature values
Sep 26, 2020
question
13
How to know optimal K-points grid values for good DFT calculation?
Sep 22, 2020
question
13
Getting different total magnetic moment in 'scf' and 'vc-relax' calculations in Quantum ESPRESSO
Dec 23, 2020
question
12
How to choose pseudopotential for DFT calculations in Quantum ESPRESSO?
Sep 21, 2020
question
11
Plotting density of states of Fe(BCC) using Quantum ESPRESSO
Oct 23, 2020
question
11
Is there an energy gap correction factor that needs to be used in DFT calculations?
Sep 27, 2020
question
11
Does the spin polarised DFT calculation mean broken time reversal symmetry?
Jul 19, 2021
question
10
Error in nscf calculation while considering Spin Orbit Coupling in Quantum ESPRESSO
Oct 9, 2021
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How to edit a PDF file in LibreOffice Draw or LibreOffice Writer without corrupting it?