Generate Vasp Inputs

GVasp can help user quick generate VASP inputs (INCAR, KPOINTS, POSCAR and POTCAR), just need only run gvasp submit TASK [arguments].

The following arguments can be applied in all of the tasks, while other arguments will describe in corresponding sub-topic.

Argument	Description
-P/--potential	specify the potential
-V/--vdw	open the vdw-correction
-S/--sol	including the solvation effect
-G/--gamma	perform the Gamma-point calculation
-N/--nelect	perform charged system calculation

Detailed information about the mentioned arguments can see in opt task.

Contents:

• Optimization
• Charge Density
• Work Function
• Density of States
• Frequency
• Ab-initio Molecule Dynamics
• STM image Modeling
• Transition State Search