Supratik Sadhukhan

Problem Installing v2.7.1

1

I am trying to install wannier tools v2.7.1 using the Makefile.gfortran but I am getting the following error on running the command make: gfortran -cpp -O3 -ffree-line-length-512 -c module.f90 module.f90:1175:512:...

Go from JM orbital basis to conventional basis

3

I am using pyprocar to get the orbital projected band structure based on non-colinear calculations in Quantum Espresso, Now, how do I select the orbitals in the JM basis to...