QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: fso002 on February 9, 2015, 22:14

Title: PDOS with VNL
Post by: fso002 on February 9, 2015, 22:14

Good afternoon,

 I am having trouble visualizing the partial density of states (PDOS) with VNL. Here is how I am doing it :

1. Import CONTCAR into VNL
2. Import DOSCAR into VNL

Then, I click the " VASP  (P)DOS plot" option and I obtain the DOS figure. However,  when I select an atom from the viewer and want to click on the  shells option in the properties section, is not allowing me to select anything.

Any help with this is appreciated.

Thank You,
Fernando Soto

Title: Re: PDOS with VNL
Post by: Anders Blom on February 10, 2015, 00:15

Did you update to 2014.2? There were some bugs on this in 2014.1. Also, of course you must have run VASP with projection analysis turned on. Still, I just noticed some problems myself now, with selecting atoms. Shells work ok, but I have to check tomorrow if this is a generic issue for atom selection.

Title: Re: PDOS with VNL
Post by: Anders Blom on February 10, 2015, 10:20

If you have problems with a particular file, we need to look at the file to solve it.