[QE-users] Quantum Espresso 7.2 with LibXC 6.2.2

2023-08-21 Thread Collins Nganou
Hello everyone, I am trying to install quantum espresso(QE) with Libxc-6.2.2. Following the procedure in the user manual or the suggestion of "Paolo and Takahiro" posted Tue Sep 6 06:08:38 CEST 2022 I fail to overcome the error in QE configuration (see below). Libxc-6.2.2 was installed will the

Re: [QE-users] Fermi-Surface Nesting

2023-08-21 Thread Chiara Cignarella via users
Dear Kumar, In order to make sure you have a nesting of the Fermi surface you should plot the nesting function (the double deltas function); the points where you see the peaks are the nesting points of the Fermi surface. The phonon softening in the phonon dispersion that you observe should be