(1) h2ogs: ground state calculation of a single H2O molecule

(2) h2ocg: structure optimization of a single H2O molecule

(3) si2gs: ground state of Si in an FCC cell, using 12 k-points, including stress calculation

(4) cgcell: unit cell relaxation for Si using a CG algorithm

(5) si4gs: ground state calculation for a Si4 cluster

(6) si4cg: structure optimization for a Si4 cluster

(7) si4mlwf: compute maximally localized Wannier functions in a Si4 cluster

(8) si4bomd: Born-Oppenheimer molecular dynamics for a Si4 cluster

(9) si4cpmd: Car-Parrinello molecular dynamics for a Si4 cluster

(10) efield: ground state of Si4 in an external electric field

(11) o2gs: ground state of an O2 molecule in its triplet state

(12) H2O64 : ground state calculation 
 
(13) H2O64 : Born-Oppenheimer molecular dynamics 
