[QE-users] Rotated Lattice defined by CELL_PARAMETERS

2019-04-19 Thread Yunzhe Wang
by CELL_PARAMETERS always align with z-axis of the Cartesian coordinate system? Thanks for your patience in reading through this post! Best, Yunzhe Wang (Phil) Mueller Research Group Johns Hopkins University input Description: input stdout Description: stdout

Re: [QE-users] ibrav number check

2018-11-20 Thread Yunzhe Wang
of the lattice will be broken. Best, Yunzhe Wang Mueller Research Group, Johns Hopkins University Get Outlook for iOS<https://aka.ms/o0ukef> From: users on behalf of Giovanni Cantele Sent: Monday, November 19, 2018 5:02 PM To: Quantum Espresso users Forum Subje

Re: [QE-users] an error while installing quantum espresso

2018-11-20 Thread Yunzhe Wang
Hi Foudil, You don’t link against openmpi libraries. You can add additional flags using “./configure VARIABLES=VALUE” syntax. The examples can be found at the general user manual of QE. Best, Yunzhe Wang Mueller Research Group Johns Hopkins University Get Outlook for iOS<https://aka.ms/o0u