The ABINIT Users Mailing List ( CLOSED )

[verstraete@pcpm.ucl.ac.be]

Hi Vivek, 

As it's expressed in the warning, you are asking for more kpoints in your 
input than you had in your wfk file. This can be

1) normal if you are doing perturbations and have lost symmetry: there are 
more inequivalent kpoints. Abinit will generate the needed wavefunctions 
correctly

2) abnormal if you think you haven't changed anything (e.g. continuing a
geometry relaxation). You probably modified your kpoint sampling in the
input file, or the wfk file is old, or you broke some symmetry. For
example by copying 2 acell parameters that aren't exactly equal 2.00000
and 2.0001: abinit is very sensitive to these for symmetry recognition.

Matthieu

-- 
===================================================================
Matthieu Verstraete               mailto:verstraete@pcpm.ucl.ac.be 
PCPM, Boltzmann, pl. Croix du Sud, 1            tel: 010/ 47 86 81
B-1348 Louvain-la-Neuve  Belgium                fax: 010/ 47 34 52