[QE-users] Iron ibrav=3 bad magnetic moment in a large cell

Hi I'm having a problem with the calculation of a cell with ibrav=-3 (also 3) I want to do a doping calculation in Fe-BCC, so I start with the unit cell of the Iron bcc and then i duplicate it. To start the calculation for the unit cell of iron the parameters i use (among others) are: ibrav = -3,

[QE-users] Postdoc position in advanced materials modeling using HPC at the Jožef Stefan Institute

Postdoc position in advanced materials modeling using HPC at the Jožef Stefan Institute An open position for a post-doc or researcher to be involved in advanced materials modeling and high-performance computing (HPC) is available at the Jožef Stefan Instituteunder the supervision of Anton