CCL: error in VASP polarization calculation using Berry phase
- From: "Ping Lin" <plin1112() gmail.com>
- Subject: CCL: error in VASP polarization calculation using Berry
phase
- Date: Tue, 22 Jul 2008 17:02:14 -0400
Sent to CCL by: "Ping Lin" [plin1112^gmail.com]
Dear all,
We try to use vasp to calculate polarization using berry phase as suggested in
the manual.
During the berry phase calculation, it always stops with an error in the OUTCAR:
Error in subroutine BERRY: did not find all determinants
Matrix CMK is not an nxn matrix for
ISTR = 1 j = 0
Can anyone tell us how to carry out the calculation, even for the example in
vasp manual (NaF)?
Thank you in advance.