Re: [QE-users] [SPAM] parallel parameter in qe

Have you checked out the documentation on parallelism? There are some pointers there on how to set parallelization flags: https://www.quantum-espresso.org/Doc/user_guide/node17.html. If you're still not sure after reading that, you might try asking a more specific question, including what you've

Re: [QE-users] Error in routine ylmr2 (15): l too large, or wrong number of Ylm required

Hi Simon -- there's a thread from ~12 hours ago where someone else encountered the same error, and I pointed them to this commit: https://gitlab.com/QEF/q-e/-/commit/c5cfcd9f9cc82e6d7da3329311eeecbc895HiHi04415 . Does

Re: [QE-users] Error with QE-7.3

I've also run into this issue, and for me the problem is described and fixed in this commit: https://gitlab.com/QEF/q-e/-/commit/c5cfcd9f9cc82e6d7da3329311eeecbc89504415. I was able to fix the error in 7.3 by simply changing maxl in the two files modified by that commit. Daniel Rothchild On Mon,

Re: [QE-users] Supercell relaxation

Hi Vishva, As the CRASH file says, the first and second atoms in your input file differ by exactly one lattice vector. In fact, there are several such pairs of atoms in your input file that differ by exactly one lattice vector -- in other words, those pairs of atoms are directly on top of each