I am trying to figure out the initialization process of VASP, and I found an INCAR tag NELMDL, on the wiki page of NELMDL, it is said that VASP requires 5-10 steps to obtain the reasonable orbitals. This seems strange, when setting ISTART=0 and INIWAV=1, the initial charge density is calculated b...

I am getting confused about what the electronic step and ionic step are in VASP. I used to think that finishing the following loop one time is called an electronic step. but I am not sure how to express the ionic step on the following diagram. According to some calculation experience and communi...