QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: naash on August 10, 2012, 12:37

Title: Quanlist
Post by: naash on August 10, 2012, 12:37

i have just finished calculating my IV curve and i want to calculate MPSH but first i need to know how to calculate the Quanlist [      ] and how to determine which is the quantum number so as to set up my script can some one show me an example  i have read the whole manual but i cannot get it.

thanks in advance
  

Title: Re: Quanlist
Post by: kstokbro on August 11, 2012, 23:38

You need to calculate a MolecularEnergySpectrum,

Title: Re: Quanlist
Post by: Anders Blom on August 12, 2012, 23:22

I suggest you study http://quantumwise.com/documents/tutorials/latest/MolecularDevice/index.html/ in detail. It contains a section on MPSH.