Qbics Manual

Program and Input

• Compiling Qbics
• Installing Qbics
• Command Line Arguments
• General Structure

Keywords

• basis
• basinfo
• charmm
• eda
• qmmmeda
• fepdualtop
• grimmedisp
• md
• scfguess
• mol
• nosi
• nosi_dets_mwfn
• scf
• scfguess
• opt
• output
• pcm
• pseudopotential
• qmmm
• wfn
• xas
• xtb

Quick Links

• Quick Links