Re: [QE-users] Problem in running QE7.3

2024-05-12 Thread Jayraj Anadani
Hello, Wang I think, May be you didn't mention Emin and Emax in projwfc input file. Regards Jayraj Anadani On Sun, 12 May, 2024, 7:15 pm wangzongyi via users, < users@lists.quantum-espresso.org> wrote: > Dear all > > I am running a calculation example of Al which is given on QE's tutorian >

[QE-users] Problem in running QE7.3

2024-05-12 Thread wangzongyi via users
Dear all I am running a calculation example of Al which is given on QE's tutorian website https://pranabdas.github.io/espresso/hands-on/pdos I am trying to compute the projected density of states . Firstly, I sbatched the calculation in the following squeue. pw.x < al_vc_relax.in >