[Pw_forum] ph.x and fildrho-file
Sergey Nikolaev
saishi at inbox.ru
Thu Feb 28 13:58:01 CET 2013
Dear all,
I am trying to perform calculations within d3.x and ph.x. But I have encountered some problems: ph.x produces fildrho-file only for Gamma-point, but not for the rest of Brillouin zone. Also I checked /_ph0-directory, but this file is absent too. Could you please give me any idea.
My input file is
Phonon
&inputph
tr2_ph=1.0d-13
trans=.true.
prefix='ph-lda2'
outdir='/usertemp/'
amass(1)=*****
amass(2)=*****
fildyn='***.dyn2'
fildrho='***.drho2'
/
0.00000000 0.00000000 0.609465737514596
Thank you in advance.
Sergey Nikolaev
Ural Federal University, Yekaterinburg,Russia.
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