Dibya Prakash Rai

3 Questions 37 Answers 0 Followers

Questions related from Dibya Prakash Rai

How to calculate Curie temperature using SPRKKR code?

I want to calculate the Curie temperature of Heusler compounds using KKR code. Can you provide me case.inp file that contain a switch for calculating Curie temperature?

14 March 2017 548 3 View

What is the reason for negative Fermi Energy in thin film?

In all bulk calculation the ground state Fermi energy is positive within FP-LAPW method (WIEN2K). Surprisingly, the Fermi energy for thin film is negative. What is the reason for negative Fermi...

01 September 2014 7,344 3 View

How can I calculate the NMR chemical shift?

Has anyone calculate the NMR shifts using WIEN2K code?

29 July 2014 7,935 4 View