Cheedge Lee

4 Questions 5 Answers 0 Followers

Questions related from Cheedge Lee

Why and how to choose wannier90's disentanglement froz_win?

i just know the disentanglement is to solve the application problem of wannier function in the entangle bands for mental and conduct bands .but in wannier90 there is a froz_win_min/max ,what the...

01 April 2017 1,895 0 View

Why i calculate the bands of mgb2 is not a superconductor?

i use qe to calculate the bands of mgb2 ,and get a semiconductor result with gap.but from the paper i know it is a superconductor, i dont know whats wrong with the parameter i...

23 March 2017 8,320 3 View

The k points converge test erro:too many kpoints?

when i use the quantum espresso to do the converge test for k points test of the scf for metal,but when it comes to calculate the 100 100 100 k points ,it gives a CRASH file :too many k points.as...

22 March 2017 6,510 4 View

When the shift of Monkhorst-Pack method in QE or VASP or anyothers should set to 0?

I have read the paper of Monkhorst-Pack method and the C-C method,and in my understanding the shift of k-points in Monkhorst-Pack method with the parameter Ni which chose to be even, is to avoid...

02 November 2016 9,053 3 View