QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: perfetti on May 2, 2012, 17:15

Title: PDOS has no effect
Post by: perfetti on May 2, 2012, 17:15

Dear everyone,
        I did scf calculation for the device and stored it in a nc file. And then I did DOS calculation using analysis from file. However, I could not use atom indices nor shells to project the dos on a certain atoms. Input indices has no effect and ticking the shells doesn't cause any reaction.
        I am using the demo edition of 12.2. Could anyone give an advice on this?

Title: Re: PDOS has no effect
Post by: Nordland on May 2, 2012, 22:18

In the dialog were you can select the file in the PDOS widget, select the file where your self-consistent calculation is stored, and it works.