[QE-users] bands.x run questions

Dear QE masters, I have questions about the tag "lsigma(i)" in the bands.x run. Please help. My question is : my previous calculations are noncollinear+soc, which use spinor wavefunctions. Then I use bands.x to generate bandstructure data. However, in the previous runs, I used constrained_magnetiz

[QE-users] QE LDA+U+SOC converge and Error in routine read_scf (1):Reading ldaU ns

Just for update.The issue was solved.  Because I use different folder for the 2 runs, and the “occup.txt” file is missing in the 2nd folder. Best,Hong  Sent from Mail for Windows  ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing

Re: [QE-users] [QE-GPU] Ylm out of bounds

Hello Could you provide more details ? Regards Pietro Sent from Mail for Windows From: Daniel B. Straus Sent: Tuesday, November 2, 2021 4:09 PM To: users@lists.quantum-espresso.org

[QE-users] [QE-GPU] Ylm out of bounds

Hello, Jobs that ran fine with 6.7 are failing in 6.8 with the following error: %% Error in routine ylmr (6): l>4 => out of bounds in Ylm with CUDA Kernel %%%