보낸 사람: Paolo Giannozzi 대신 users
보낸 날짜: 2019년 3월 18일 월요일 오후 5:56
받는 사람: Quantum Espresso users Forum
제목: Re: [QE-users] Too many r-vectors error while running cp.x
On Mon, Mar 18, 2019 at 6:35 AM (대학원생) 한대호 (화학과)
mailto:dh...@unist.ac.kr>> wrote:
celldm(1)
Hello,
I'm trying to run the Car-Parrinello dynamics on a pentacene-fullerene system.
When I run the electronic minimization with cp.x, it shows the error, "too many
r-vectors." This error is always reproducible when I use the van der Waals
correction, 'dft-d'. I guess that the electronic
