QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: xiaolight on July 19, 2017, 22:25

Title: effective potential
Post by: xiaolight on July 19, 2017, 22:25

The effective potential means everything in the Hamiltonian except the kinetic energy(is that right?) So how can I get the work function when I get the effective potential (like  below the effective potential of super cell of MoS2)

Title: Re: effective potential
Post by: Anders Blom on July 20, 2017, 01:50

See http://docs.quantumwise.com/tutorials/work_function_ag_100/work_function_ag_100.html