Dear Lokanath

Your error is wellknown if you search mailing list.
You may try :
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08405.html

Some time ago I got same error and by compiling SRC_hf agin I overcome the
error.

regards









*------------------------------------------------Dr. K. C. Bhamu(UGC-Dr. D.
S. Kothari Postdoc Fellow)Department of PhysicsGoa University, Goa-403
206IndiaMob. No.  +91-9782911977*

On Thu, Jan 28, 2016 at 8:33 PM, lokanath patra <lokanath.patra...@gmail.com
> wrote:

> Dear Users,
>
> I am trying to calculate born effective charge for Bi atom in BiFeO3. I
> followed the tutorial for GaAs as BiFeO3 is having non orthogonal lattice
> vectors. I used berrypi with -s option as it consists of magnetic ion. But
> after changing the position of Bi atom by 0.001, when I put the command ''x
> dstart'' to initialize the electron density, it is showing 'rot-def' error.
> Please help.
>
> Thanks in advance.
>
> --
> Lokanath Patra
> Ph.D Scholar
> Dept. of Physics
> School of Applied and Basic Sciences
> Central University of Tamil Nadu
> Thiruvarur
> Tamil Nadu - 610101
> Ph no - +91-8675834507
>
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>
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