The ABINIT Users Mailing List ( CLOSED )

[Sanjeev Kumar Gupta <skgupta.physics@gmail.com>]

Dear Sir,

Greetings.

As you suggested regarding LO-TO separation in GaP crystal. I perform
lots, but I did not got success. Here, I am enclosing one input file
to calculate to phonon dispersion curve with applied electric field,
which gives error. Given below is message got in log file.

I hope, you will see my input file and help me.

Thanks a lots!!


Kind Regards
SANJEEV


................................................................................................................................................................
respfn : ERROR -
 The treatment of non-zero wavevector q is restricted to phonons.
However, the input normalized qpt is    2.500000E-01    0.000000E+00
 0.000000E+00,
 while rfelfd= 2, rfmgfd= 0, and rfstrs= 0.
 Action : change qpt, or rfelfd, rfmgfd, or rfstrs in the input file.

 leave_new : decision taken to exit ...

 
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

 === Build Information ===
 Version       : 5.7.3
 Build target  : i686_linux_gnu4.1
 Build date    : 20090813



--
S. K. Gupta
PhD Candidate,
Dept. of Physics, Bhavnagar University.
Bhavnagar, 364 022., Gujarat, India.

Attachment: GaP.in~
Description: Binary data

Attachment: log-E
Description: Binary data