Shaira Narido

3 Questions 12 Answers 0 Followers

Questions related from Shaira Narido

In VASP, how can I use vdW correction for version 5.2?

Hi all, Is IVDW allowed to be used for version 5.2 of VASP or can it only be used for version 5.3? I am asking since I am using version 5.2. I tried setting IVDW=1, but when I check the OUTCAR by...

07 July 2015 4,798 1 View

How do you make VASP calculations faster?

I saw that there are many ways to make VASP calculations faster. I have some questions regarding these methods. (1)Set ALGO=F. Basically, this uses Blocked Davidson algorithm in the first five...

01 January 2015 5,123 13 View

How do you choose ISMEAR for a system with metals, insulators, and semiconductors in VASP?

The manual suggested different (and contrasting) ISMEAR and SIGMA values for metals, insulators, and semiconductors. But if a system is composed of all of these and one is interested in getting...

01 January 2015 8,419 9 View