CGETRF parameter number 4 had an illegal value

[nice_ayoub]

Hello everybody,

I did all calculations in quantum espresso and yambo about a quantum dot using GW approximation, were only 1 kpoints were used.
I did also all kind of optimizations,
now, I am stuck in this error when I run ypp -F ypp_bands.in
this is the error
[INTERPOLATION] Number of shells: 17 ** On entry to CGETRF parameter number 4 had an illegal value

this is the input file


electrons # [R] Electrons (and holes)
bnds # [R] Bands
cooIn= "rlu" # Points coordinates (in) cc/rlu/iku/alat
BANDS_steps=10 # Number of divisions
% INTERPGrid
-1 |-1 |-1 | # Interpolation BZ Grid
%
ShellFac= 20.00000 # The bigger it is a higher number of shells is used
%QPkrange # generalized Kpoint/Band indices
1| 1| 59| 77|
%

%BKpts # K points of the bands circuit
0.00000 |0.00000 |0.00000 |
0.33300 |0.00000 |0.00000 |
%

[Daniele Varsano]

Dear S.Ayoub,

The alorithm is based on interpolation so you cannot think to interpolate having calculated the electronic structure with only one k point.
I so not know your system anyway, if you are interested in a band structure it means that you have an energy dispersion with respect kpoints, so
may be on kpoint only it is not enough to have an accurate description.

Best,

Daniele

[nice_ayoub]

yes sir, you are right

i fix the probleme by using 2 2 1 kpoints in QE,
thank you