QuantumATK Forum

QuantumATK => Scripts, Tutorials and Applications => Topic started by: eastnobil on April 2, 2010, 04:26

Title: calculating the PDOS with ATK2010.02
Post by: eastnobil on April 2, 2010, 04:26

Pay attention to the changing syntax of ATK2010.02, I think the scripts of calculating Projected Density of States  should have corresponding changes. How to modify the script of PDOS in ATK2008?

Admin modification: Changed the subject from POS to PDOS to make searching for this easier

Title: Re: calculating the PDOS with ATK2010.02
Post by: Anders Blom on April 2, 2010, 22:31

DOS and PDOS will be implemented in ATK 2010.xx properly (i.e. directly in the code, not as add-on scripts), but for now it's not an available feature. To modify the existing 2008.10 scripts for that wouldn't really be possible, because they rely on inner workings in the old code, which are no longer present.