[QE-users] pwcond.x error in calculating the transmittance

yifeng zhao yzfyz23 at gmail.com
Mon May 24 03:42:35 CEST 2021


Dear QE users,
I am using pwcond.x to calculating the example03, and there is a error that
can't be corrected. I what to know is there any compile error in qe.6.6 and
what can i do to fix this?
the error is following

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine gep_x (350):
     error on zggev
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

and the input is attached following:
 &inputcond
    outdir = '$TMP_DIR/',
    prefixl = 'AuwireU',
    prefixs = 'AuwireU_CO',
    tran_file = 'transU.AuwireCO',
    ikind = 1,
    energy0 = 1.d0,
    denergy=0.d0,
    ewind=4.d0,
    epsproj=1.d-4,
    nz1 = 2,
 /
    1
    0.0  0.0  1.0
16
  1.0
  0.7
  0.5
  0.3
  0.2
  0.15
  0.1
  0.05
  0.0
 -0.2
 -0.3
 -0.5
 -0.7
 -0.8
 -0.9
 -1.0

I hope there is someone can help me. Thank you very much!
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