Dear experts, I am using wannier90 to calculate the transport properties. From the tutorial, I found that the number of bands must be either equal to or more than the number of wannier functions. In my problem, I can change the number of wannier functions by changing the projection e.g, l=0,1,..etc. But for each value of l=0,1,.., the number of bands are same. Then, for more wannier functions how can we satisfy the condition related to the number of bands? Also, I am using K_points crystal (16 k-points) in my nscf input file but output nscf file is giving 20 k points. I have to use same 16 k points (grid 4x4x1) for wannier inputs but the difference between the k points (in and output of nscf) creating the error. How to deal with this problem? thanks and regards *Mohammad Ubaid* *PhD Research Scholar* *Department of Physics* *Jamia Millia Islamia University* *New Delhi - 110025*
_______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
