[Pw_forum] About the output of tddft

[shuai]

Dear all,

I followed the hands-on tutorial 
(http://media.quantum-espresso.org/santa_barbara_2009_07/slides-exercices/Tddfpt_tutorial.pdf) 
to calculate the Na2 spectrum by TDDFT. Both of this tutorial and the 
CPC paper (the last sentence in the last but two paragraph in the 7th 
page) mentioned "the absorption coefficient can be found in the lines 
starting with */alpha/*" in the output file "/prefix/.plot".
But in my calculated output file "na2.plot", I didn't find any line 
starting with /*alpha*/. My QE version is 5.1. I post my input file here.

for turbo_lanczos.x

  &lr_input
     restart=.false.
     restart_step=500
     prefix='na2'
     outdir='/'
  /
  &lr_control
     itermax=1000
     ipol=4
  /

for turbo_spectrum.x

  &lr_input
     prefix = 'na2'
     outdir = '/'
     itermax = 1000
     itermax0 = 1000
     extrapolation = 'no'
     omegmax = 5
     delta_omeg = 0.001d0
     omeg = 0.d0
     ipol = 4
     epsil = 0.002d0
  /

Many thanks.

Best regards,

Yusen

-- 
Graduate student
Graduate School of Life Science and Systems Engineering
Kyushu Institute of Technology, Japan

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