[Pw_forum] Error/Warning in Ph.x (Paolo Giannozzi)
ramesh kumar
raamesh123 at rediffmail.com
Mon Sep 10 13:53:10 CEST 2012
Dear Prof Paolo
Thank you for the answer. Here with i am attaching my input file.
Electron-phonon coefficients for pd2ZrGa12.2nm-alpha
&inputph
tr2_ph=1.0d-10,
prefix='pd2ZrGa12.2nm-alpha',
fildvscf='Pd2ZrGadv',
amass(1)= 91.224
amass(2)= 106.42
amass(3)= 69.723
outdir='/home/ramesh/tmp/',
fildyn='Pd2ZrGa.dyn',
electron_phonon='interpolated',
trans=.true.,
ldisp=.true.
nq1=2, nq2=2, nq3=2
/
Apart from the error msg the calculation is running and showing convergence for all the modes.
with regards
ramesh
With regards
K. Ramesh Kumar
Research Scholar
Department of Physics
IIT-Madras
Chennai-600 036
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120910/50762b6a/attachment.html>
More information about the users
mailing list