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Author Topic: Steps to do geometric optimization of V2O3  (Read 2270 times)

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Offline neerja

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Steps to do geometric optimization of V2O3
« 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...
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Offline Ulrik G. Vej-Hansen

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Re: Steps to do geometric optimization of V2O3
« Reply #1 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
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