Shubhalakshmi Sahu

2 Questions 2 Answers 0 Followers

Questions related from Shubhalakshmi Sahu

How can I perform constrained SDFT of a material e.g fcc Ni? Can someone tell me what syntax should I give in my input files?

Recently I am studying on Exchange interaction and Magnetic force theorem(MFT) .. there the basic idea of MFT is we have to rotate the exchange-correlational (xc) potential by assuming that within...

30 April 2024 8,454 0 View

Calculation of exchange interaction by using Magnetic Force theorem

Is anyone using MFT to calculate J , then which code are you using...is it possible by DFT .. IF yes then what will be the syntax for it , can u explain by giving a simple example.

01 January 1970 5,018 2 View