[Pw_forum] ph.x error message
Lex Kemper
lex at phys.ufl.edu
Mon Feb 9 08:54:54 CET 2009
Hello everyone,
I'm attempting to calculate the phonon DOS and a^2F(w) for a metallic
system. I've run an scf calculation, and was going through the steps (as
in example 7). Here is the elph.in file:
eph coupling for SNP
&INPUTPH
outdir = './tmp'
prefix = 'SNP'
tr2_ph = 1.0d-10
fildyn = 'SNP.dyn'
fildvscf = 'SNP.dv'
trans = .true.
elph = .true.
ldisp = .true.
nq1 = 9
nq2 = 9
nq3 = 5
/
The error I get is, after the SCF steps:
**************************************************************************
electron-phonon interaction ...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from lint : error # 1
cannot locate k point xk
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
Could someone help me fix this problem?
Thanks,
Lex Kemper
Department of Physics
University of Florida
More information about the users
mailing list