Wuxuan Li

according to 'Ernsting D, Billington D, Haynes T D, et al. Calculating electron momentum densities and Compton profiles using the linear tetrahedron method[J]. Journal of Physics: Condensed Matter, 2014, 26(49): 495501.' the tetrahedron method used in calculating Compton profile can only be applied in cubic systems , if my material is not a cubic system is this code applicable?

Hi, I was wondering how to apply strain in a target material here's my input file as an example. After increasing the lattice constant by 1% should I just run the optimization task and do nothing but wait? tasks 2 spinpol .true. ngridk 12 12 1 latvopt 2 epspot 0.1000000000E-03 epsengy 0.1000000000E-03 sppath '../species/' scale 1.88972612462577 avec 6.1372649384 0.0000000000 0.0000000000 -3.0382499695 5.2624033132 0.0000000000 0.0000000000 0.0000000000 19.4603996277 atoms 3 : nspecies 'Mn.in' : spfname...