QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: markmick on May 8, 2016, 18:49

Title: PDOS Properties "grayed out"
Post by: markmick on May 8, 2016, 18:49

When I successfully open DOSCAR and display the PDOS image, the s,p,d, f shells are grayed out.  Is there an additional setting in VASP that I need to set?  I thought that LVTOT=True was all that was needed.

Mark

Title: Re: PDOS Properties "grayed out"
Post by: Petr Khomyakov on May 8, 2016, 19:42

In the INCAR file, you should also set LORBIT, for example, to 12, see http://cms.mpi.univie.ac.at/vasp/vasp/LORBIT.html for all the options.