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Questions related from Arindam Sannyal
Dear Altruists I would like to know that how can I model a stochiometric nanocluster e.g (CdSe)n with a spherical shape? Is there any software or code available to do so? Thank you very...
26 May 2023 8,985 0 View
Dear Altruists I want to calculate the Auger recombination coefficient or Auger recombination rate or Auger carrier lifetime in semiconductors from VASP DFT calculations. I would like to know how...
10 March 2023 8,245 1 View
Hello Everyone, I am trying to calculate the lm-decomposed density of states of LiMnO2 using GGA+U with ISPIN=2 and LORBIT=11. In the layered LiMnO2 (C2/m, no. 12), the Mn ions are in the center...
26 December 2018 5,057 2 View
Dear Altruists In my VASP calculation I have two different metal surfaces (geometric orientation) of same element and I have to compare their corresponding electric field. So is it possible to get...
14 March 2017 4,107 1 View
Dear Expertise I am trying to calculate the reaction rate, for example Li+ ion deposition or dissolution rate from Li metal surface to liquid electrolyte using CI-NEB method in VASP. Here are my...
20 January 2017 2,115 6 View
Dear Expertise I am a beginner in VASP and I am trying to use the available scripts from the VTST.Tools for calculating different properties such as Bader charge transfer from surface to adsorbed...
13 January 2017 8,714 12 View
Dear Expertise Currently I am learning VASP and regarding the KPOINTS input file I tried the automatic k-mesh generation scheme. But I am confused about which one would give me more accurate...
16 November 2016 9,837 8 View
