[QE-users] Xspectra_error

Dear QE-Users , I ma trying to calculate the XAS .. But when i do the Xspectra , this error appears in the output Do any body here have an idea about that? [image: image.png] Thanks in advance Mostafa Marzouk, PhD candidate Helwan University Cairo- Egypt -- *Kind Regards;Sincerely;Mostafa

[QE-users] External Pressure, How to see the change in lattice parameters, How to apply External magnetic field, Apply external Electric Field

-vanderbilt', degauss=0.05 nbnd= 180 nspin = 2 starting_magnetization(1) = 0.5 starting_magnetization(2) = 0.5 / electron_maxstep = 500, mixing_beta = 0.2 conv_thr=1.0e-8 ... ... Thank you in advance, Mostafa Marzouk, PhD Student

Re: [QE-users] Error when computing the band structure

Dear Mr. Song, I think this problem is related to the number of tasks and nodes, *You can try to reduce the number of nodes from 8 to become 4 nodes*, and then let me know if the problem has been solved or not. Regards, Mostaf Marzouk On Thu, Jun 4, 2020 at 3:26 AM Kenan Song wrote: > Dear