[QE-users] bug of point group of MoS2 monolayer in QE6.6version?

2021-06-20 Thread 526587466 via users
Dear All,For the MoS2 monolayer, whose symmetry should be D_3h (P-6m2) #187 space group.  However, the QE (6.6 version) prints D_3h (-62m), is it (P-62m) #189 space group?   Is it a bug for the symmetry of QE 6.6 version?Thanks.YPHTU

[QE-users] CUDA-compiled version of Quantum Espresso

2021-06-20 Thread Chiara Biz
Dear QE team, we would like to compile the GPU-QE since we learnt that is faster for spin-polarized wavefunctions. We would like to ask you which NVIDIA architecture is supported by QE: Maxwell, Pascal, Turing, Ampere? Can QE support SLY? These are crucial aspects for us because they will