QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: neerja on October 24, 2018, 10:06

Title: Steps to do geometric optimization of V2O3
Post by: neerja on October 24, 2018, 10:06

hello everyone,
  I m new user of this software. i just want to know how to optimize the crystal structure , how to calculate density of state and total energy for crystal. specially i  want to know how to do these for vanadium oxide.
  thank u...

Title: Re: Steps to do geometric optimization of V2O3
Post by: Ulrik G. Vej-Hansen on October 24, 2018, 11:29

Please see our extensive documentation portal here: https://docs.quantumwise.com/

You can find a tutorial on geometry optimization here: https://docs.quantumwise.com/tutorials/geometry_optimization/geometry_optimization.html