How to Lock / UnLock (Enable / Disable) Linux User Account Before you remove an account from a system, is a good idea lock it for one week to make sure that no one use it. To lock, you can use the follow command: # passwd -l username ( where username is the login id ). This option is used to ...
HERMES 2014, Materials Modelling Summer School, London Category: Event Hermes 2014 is a unique summer school organised by PhD students for PhD students. This entirely student-led event focusses on two key issues: bringing together people and ideas in materials theory and simulation & ...
Workshop Spin-Orbit Coupling in Metal Oxides April 27, 2014 – May 02, 2014 Location: Columbus, Ohio Photo Credits: IFW-Dresden - Institute for Theoretical Solid State Physics, dan418 (stock.xchng), Hamish Johnston, Ceramics.org Organizers: Nandini Trivedi, The O ...
VdW in VASP and QE It is clear that both VASP and QE have different flavors of theory implemented to deal with the vdW dispersion in solids and molecules. Van der Waal interactions can be accounted for in VASP during a structure optimization process. Setting the tag LVDW to TRUE initiates t ...
HSE hybrid functional:Hartree-Fock (HF) type and hybrid functional calculations Available only in VASP.5.X. http://cms.mpi.univie.ac.at/vasp/vasp/Hartree_Fock_HF_type_hybrid_functional_calculations.html INCAR FOR HSE # output options LWAVE = .FALSE. # write or ...
2 x PhD Positions in London in Theory and Simulation of Materials Category: PhD Positions Message: Two PhD positions are available in Prof. Angelos Michaelides’ ICE research group in the London Centre for Nanotechnology and Department of Chemistry. The theoretical/simulation projects ...