[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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