[QE-users] ZPE correction

[thorgalg]

Dear All,
Steve and Jibiao thank you for your help.
I performed the calculations of two OH
groups on the surface using the nat_todo
setting implemented in ph.x.
However, there is a problem with the dynmat.x
program, namely, when I used asr='zero-dim', 
the program stucks on the ASR calculations.
....
Reading Dynamical Matrix from file vac_2OH.dyn
...Force constants read
...epsilon and Z* not read (not found on file)
Acoustic Sum Rule: || Z*(ASR) - Z*(orig)|| =    0.000000E+00
This is my input file for ph.x:
&inputph
  prefix = 'vac_2OH'
  nat_todo = 4
  amass(1) = 12.01
  amass(2) = 14.0067
  amass(3) = 1.0079
  amass(4) = 15.9994
  outdir = './'
  fildyn = 'vac_2OH.dyn'
  epsil = .false.
/
0.0 0.0 0.0
252, 253, 254, 255
and for dynmat.x
&input
 fildyn = 'vac_2OH.dyn'
 asr = 'zero-dim'
/
 
Have you had a similar problem?
Do you know how to solve it?
Best,
Tom
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