I want to plot the band structures with ypp, but there are some errors. When I finished my GW calculation, I used "ypp -s b ypp.in" and changed the relates parameters as following,
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#
#
# Y88b / e e e 888~~\ ,88~-_
# Y88b / d8b d8b d8b 888 | d888 \
# Y88b/ /Y88b d888bdY88b 888 _/ 88888 |
# Y8Y / Y88b / Y88Y Y888b 888 \ 88888 |
# Y /____Y88b / YY Y888b 888 | Y888 /
# / / Y88b / Y888b 888__/ `88_-~
#
#
# GPL Version 4.1.3 Revision 76
# Serial Build
# http://www.yambo-code.org
#
electrons # [R] Electrons (and holes)
bnds # [R] Bands
cooIn= "rlu" # Points coordinates (in) cc/rlu/iku/alat
BANDS_steps= 100 # Number of divisions
% INTERPGrid
-1 |-1 |-1 | # Interpolation BZ Grid
%
ShellFac= 20.00000 # The bigger it is a higher number of shells is used
shell is used
GfnQPdb= "E < gw/ndb.QP" # [EXTQP G] Database
GfnQP_N = 1
%QPkrange # generalized Kpoint/Band indices
1 | 75| 14| 24|
%
%BKpts # K points of the bands circuit
0.00000 |0.00000 |0.00000 |
0.00000 |0.50000 |0.00000 |
-.33330 |0.66667 |0.00000 |
0.00000 |0.00000 |0.00000 |
%
However, the report files have some errors like,
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__ __ ______ ____ _____
/\ \ /\ \\ _ \ /"\_/`\/\ _`\ /\ __`\
\ `\`\\/"/ \ \L\ \/\ \ \ \L\ \ \ \/\ \
`\ `\ /" \ \ __ \ \ \__\ \ \ _ <" \ \ \ \
`\ \ \ \ \ \/\ \ \ \_/\ \ \ \L\ \ \ \_\ \
\ \_\ \ \_\ \_\ \_\\ \_\ \____/\ \_____\
\/_/ \/_/\/_/\/_/ \/_/\/___/ \/_____/
<---> [01] CPU structure, Files & I/O Directories
<---> [02] Y(ambo) P(ost)/(re) P(rocessor)
<---> [03] Core DB
<---> :: Electrons : 18.00000
<---> :: Temperature [ev]: 0.000000
<---> :: Lattice factors [a.u.]: 5.97756 5.17672 38.66202
<---> :: K points : 75
<---> :: Bands : 60
<---> :: Symmetries : 12
<---> :: RL vectors : 225887
<---> [04] K-point grid
<---> :: Q-points (IBZ): 75
<---> :: X K-points (IBZ): 75
<---> [05] CORE Variables Setup
<---> [05.01] Unit cells
<---> [05.02] Symmetries
<---> [05.03] RL shells
<---> [05.04] K-grid lattice
<---> [05.05] Energies [ev] & Occupations
<---> [06] Interpolation tool
<---> [06.01] Loading special Points for the HCP lattice
<---> [06.02] External/Internal QP corrections
<---> [WARNING]Wrong serial number for ./gw/ndb.QP
<---> E<gw/ndb.QP[ E-E PPA: 27.21138 XG: 231 Xb: 1 50 Scb: 1 50]
<---> [QP_ctl (Nearest K-pt)] Kpts covered exactly [o/o]: 100.0000
<---> [06.03] Interpolation@work: Circuit
[ERROR] STOP signal received while in :[06.03] Interpolation@work: Circuit
[ERROR] YPP cannot interpolate more than 20 bands. Reduce bands range
I find another post which has similar problem, viewtopic.php?f=9&t=1281. But the proposed solution doesn't seem to work for me.
I also upload an attachment including gw files and ypp input. Thank you for your help and suggestions.
Best regards,
Tianshu