[Pw_forum] lapack error in efg calculation

Paolo Giannozzi giannozz at nest.sns.it
Tue Mar 15 21:45:03 CET 2005

On Tuesday 15 March 2005 19:58, Lilong Li wrote:

> I got such an error when running efg.x
>   On entry to DGETRF parameter number 4 had an illegal value

DGETRF should be called by flib/invmat.f90, called by PW/init_paw_1.f90.
Print the integer arguments to DGETRF. Electric field gradient calculation
is implemented but not thoroghly tested

> I am ignorant to programming, so digging into the source code is not
> a good choice

it is, if you want to know what you are calculating!


More information about the users mailing list