[QE-users] [Pw_forum] How to calculate atomic magnetic moment in the non-collinear spin-orbit calculations

Dear Users, After running projwfc.x, at the end of the output file, it shows Lowdin Charges: Atom # 1: total charge = 13.5212, s, p, d, f = 2.6218 5.9990 4.9003 Atom # 2: total charge = 13.5212, s, p, d, f = 2.6218 5.9990 4.9003 Atom # 3: total charge = 7.0913, s

[QE-users] QE performance vs. ScaLAPACK and ELPA on a single node?

Dear fellows, I'd like to know whether it improves the performance of QE to use ScaLAPACK and ELPA, or not, on a single node of many CPUs and on a single node of one CPU with many cores (or only they improve performance in the multi-node case). Thanks in advance, Tamas _

Re: [QE-users] phonon calculations and el-ph couplings

Dear  Dr. Mitsuaki Kawamura, Thank you so much for your kind help on correcting my input files. With your help, I have successfuly completed the calculations using the input files.   Should I check the generated lambda file (see below) for Tc values? Is this the right way to check the Tc value