I run the serial version of VASP 4.6.28 on an itanium based HP-UX
system. I start with a clean input (only INCAR, KPOINTS, POSCAR and
POTCAR). In the middle of the electronic relaxation, I get this message:
Code: Select all
BRMIX: very serious problems
the old and the new charge density differ
old charge density: 128.00000 new 127.99784
Or is this a mathematical inaccuracy?
(I'm using HP-UX lapack and veclib libraries).
Can someone help me understand what is the problem here?
Input and output files are here:
http://surfion.snu.ac.kr/~lahaye/vasp
Thank you,
Rob.