Mukesh Sharma

5 Questions 5 Answers 0 Followers

Questions related from Mukesh Sharma

What happens to the Kb value when we perform Monte Carlo Simulation in terms of reduced temperature (kBT/J)?

I calculate magnetic specific heat (proportional to) 1/(kBT^2), [ - ^2], using Monte Carlo (MC) simulation. My question is if I perform the MC simulation with actual temperature (T in Kelvin),...

20 May 2023 5,478 2 View

Is it reasonable to optimize the structure through LDA approach and do the SCF calculation for relaxed structure through GGA approach?

How much relaxed structure is different if it is calculated through LDA or GGA approaches? what would be the difference in energy if one calculates the optimization through GGA and LDA approximation?

24 July 2019 1,494 4 View

Vasp2Boltz in boltztrap, only works for non-spin calc, Is it valid to use its results ?

How spin polarized calc differs from polarized calc. for thermoelectric clac. (through BoltzTrap tool) .I'm using VASP and i dont have option for spin polarized calc for thermo electric property...

06 September 2018 4,845 2 View

How to calculate work function using LAMMPS ?

I'm beginner in LAMMPS, and i want to calculate the work function of given material.

22 March 2018 5,146 2 View

How can I charge 350F 0.35 wh capacitor fastly .i tried so many time but it takes 2 hr approx.?

How can I charge 350F 0.35 wh capacitor fastly .i tried so many time but it takes 2 hr approx.? applied voltage is 2.7, applied current is 1.5A

04 April 2016 8,878 0 View