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Matter Modeling
Thejan Hasaranga's user avatar
Thejan Hasaranga's user avatar
Thejan Hasaranga's user avatar
Thejan Hasaranga
  • Member for 6 months
  • Last seen more than a week ago
  • Western (11730), Sri Lanka
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I am an undergraduate in Materials and Processes who is interested in doing computational materials science research.

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question
6
File extension difference of 'charge-density' file created by remote servers and personal computers
May 27
question
5
Theoretical explanation on calculating 'total magnetic moment' and 'absolute magnetic moment' in Quantum ESPRESSO
Jul 7
question
5
Can we use formation/ cohesive energy to express the structural stability of a supercell?
Apr 17
question
5
Calculating structural stability of a doped plane
May 12
question
4
Formation and Optimization of Dimers, Trimers, Tetramers, and Beyond
May 12
question
4
Time efficient way of conducting vc relax calculations while mainting accurate results at the same time
May 12
question
4
Determining bonding characteristics of a structure from PDOS
Jul 30
question
4
Introducing a vacuum space in z direction for 2D monolayer calculations
Apr 10
question
3
"Any further DFT definition will be discarded. Please, verify this is what you really want" error in elecuting &PROJWFC calculations
Jul 12
question
3
Why is the SCF calculation performed after VC-RELAX more energetically stable than the VC-RELAX calculation in QE
May 19