Re: [QE-users] Internal Problem with K-Points?

2020-12-21 Thread 박민규
Dear Stephen, I recommend you to use kmesh.pl script included in Wannier90. See Appendix A.1 of Wannier90 user guide for the usage. Best regards, Minkyu Park Research Institute of Basic Sciences, University of Ulsan, 93, Daehak-ro, Nam-gu, Ulsan, 44610

[QE-users] Internal Problem with K-Points?

2020-12-21 Thread Stephen Zhang
Dear Quantum Espresso community, I'm currently trying to wannierize the wavefunctions for Co3Sn2S2 in my calculations. To do so I must perform scf and nscf calculations, and for the nscf calculations I must input the individual k-points in the crystal representation. Unfortunately when I do this I