Mohammednoor Altarawneh

2 Questions 11 Answers 0 Followers

Questions related from Mohammednoor Altarawneh

What way can I calculate Singlet and Triplet in VASP?

I am trying to do calculations on adsorptions of singlet and triplet oxygen molecule on a Cu(100) surface? Apart from the ISPIN tag in INCAR, does VASP allow you to specify either triplet or...

16 December 2014 5,691 7 View

How can one get the XANES spectra from the VASP?

Is there any additional software for that?

20 October 2014 6,279 5 View