QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Simon on March 7, 2016, 04:59

Title: LDOS for a melocule configuration
Post by: Simon on March 7, 2016, 04:59

Hello dear Quantumwise users ,
I have tried to calculate the local density of state for a molecule configuration but i did not succeed.
I found that the ldos could be calculated for device configuration only  ( while searching in the forum and tutorials  ) . any suggestion on what i could calculate to see the landau levels except LDOS or how to do it with a molecule configuration ?? 
thank you a lot dear users

Title: Re: LDOS for a melocule configuration
Post by: Jess Wellendorff on March 7, 2016, 08:41

Perhaps the MolecularEnergySpectrum analysis is what you need: http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.molecularenergyspectrum.html (http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.molecularenergyspectrum.html)

Title: Re: LDOS for a melocule configuration
Post by: Simon on March 7, 2016, 17:38

thank you dear Jess Wellendorff for your quick reply ,
well i have already calculated the MolecularEnergySpectrum , now i have the " Eigenenergies "  relative to the Fermi Level but i dont know how can these eigenvalues help me to calculate LDOS ?  Is it possible to obtain LDOS  by summing the eigenstates of specific quantum numbers ?? i dont see anyother method to demonstrate the existence of landau level which my be very helpful to me ..
thank you for  your time