Dear Hulei Yu,

Yes, Z2Pack can be used to calculate mirror Chern numbers. The way this is done is by calculating overlap matrices only for the +i or -i eigenstates, instead of all bands. This is currently implemented for Quantum Espresso 5.3 in the 'pw2z2pack' routine. You can find it here: https://github.com/Z2PackDev/Z2Pack/tree/dev/current/examples/fp/pw2z2pack, along with an example for SnTe.

Best regards,

Dominik Gresch

Dear professor,

I am a beginner of Z2Pack. The software could calculate the chern number for TIs conveniently. I would like to know that whether Z2Pack could be used or revised to calculate the Mirror chern number (for topological crystalline insulators). Thanks.

Regards
Hulei YU
Mechanics and Materials
Department of Mechanical Engineering
#29, COB LG-111, The University of Hong Kong, Pokfulam Road, Hong Kong
Email: yuhulei@hku.hk or killayhl@163.com