Dear developers:

I am following this tutorial you presented to repeat the BSE calculation of bulk hBN. I got the wrong signal when I perform the convergence test for variable BSEBands. I pick three valence bands [6,7,8] and three conduction bands [9,10,11] to test the variables. All combination is OK but the [8]-[9] cannot be calculated correctly. The wrong message is:

[ERROR] STOP signal received while in :[04] Response Functions in Transition space

[ERROR]Impossible to define an appropriate parallel structure

Input file for 7-9 (run correctly):

#

# ooooo oooo .. ooo ooo ooooooooo. .oooo.

# `88. .8" .88. `88. .88 `88" `Y8b dP" `Yb

# `88. .8" .8"88. 888b d"88 88 888 88 88

# `88.8" .8" `88. 8 Y88. .P 88 88oooo888" 88 88

# `88" .88ooo888. 8 `888" 88 88 `88b 88 88

# 88 .8" `88. 8 Y 88 88 .88P `8b d8"

# o88o88o 888o8 88 o88bood8P" `Ybod8P"

#

#

# GPL Version 4.2.3 Revision 127. (Based on r.14793 h.bfefd4

# MPI+SLK Build

# http://www.yambo-code.org

#

optics # [R OPT] Optics

bss # [R BSS] Bethe Salpeter Equation solver

bse # [R BSE] Bethe Salpeter Equation.

bsk # [R BSK] Bethe Salpeter Equation kernel

BSEmod= "retarded" # [BSE] resonant/retarded/coupling

BSKmod= "SEX" # [BSE] IP/Hartree/HF/ALDA/SEX

BSSmod= "d" # [BSS] (h)aydock/(d)iagonalization/(i)nversion/(t)ddft`

BSENGexx=20 Ry # [BSK] Exchange components

BSENGBlk=3 Ry # [BSK] Screened interaction block size

#WehCpl # [BSK] eh interaction included also in coupling

KfnQPdb= "none" # [EXTQP BSK BSS] Database

KfnQP_N= 1 # [EXTQP BSK BSS] Interpolation neighbours

% KfnQP_E

1.440000 | 1.000000 | 1.000000 | # [EXTQP BSK BSS] E parameters (c/v) eV|adim|adim

%

KfnQP_Z= ( 1.000000 , 0.000000 ) # [EXTQP BSK BSS] Z factor (c/v)

KfnQP_Wv_E= 0.000000 eV # [EXTQP BSK BSS] W Energy reference (valence)

% KfnQP_Wv

0.00 | 0.00 | 0.00 | # [EXTQP BSK BSS] W parameters (valence) eV| 1|eV^-1

%

KfnQP_Wv_dos= 0.000000 eV # [EXTQP BSK BSS] W dos pre-factor (valence)

KfnQP_Wc_E= 0.000000 eV # [EXTQP BSK BSS] W Energy reference (conduction)

% KfnQP_Wc

0.00 | 0.00 | 0.00 | # [EXTQP BSK BSS] W parameters (conduction) eV| 1 |eV^-1

%

KfnQP_Wc_dos= 0.000000 eV # [EXTQP BSK BSS] W dos pre-factor (conduction)

% BEnRange

2.00000 | 10.00000 | eV # [BSS] Energy range

%

% BDmRange

0.10000 | 0.10000 | eV # [BSS] Damping range

%

BEnSteps= 100 # [BSS] Energy steps

% BLongDir

1.000000 | 1.000000 | 0.000000 | # [BSS] [cc] Electric Field

%

% BSEBands

7 | 9 | # [BSK] Bands range

%

Input file for 8-9 (can not run correctly):

#

# ooooo oooo .. ooo ooo ooooooooo. .oooo.

# `88. .8" .88. `88. .88 `88" `Y8b dP" `Yb

# `88. .8" .8"88. 888b d"88 88 888 88 88

# `88.8" .8" `88. 8 Y88. .P 88 88oooo888" 88 88

# `88" .88ooo888. 8 `888" 88 88 `88b 88 88

# 88 .8" `88. 8 Y 88 88 .88P `8b d8"

# o88o88o 888o8 88 o88bood8P" `Ybod8P"

#

#

# GPL Version 4.2.3 Revision 127. (Based on r.14793 h.bfefd4

# MPI+SLK Build

# http://www.yambo-code.org

#

optics # [R OPT] Optics

bss # [R BSS] Bethe Salpeter Equation solver

bse # [R BSE] Bethe Salpeter Equation.

bsk # [R BSK] Bethe Salpeter Equation kernel

BSEmod= "retarded" # [BSE] resonant/retarded/coupling

BSKmod= "SEX" # [BSE] IP/Hartree/HF/ALDA/SEX

BSSmod= "d" # [BSS] (h)aydock/(d)iagonalization/(i)nversion/(t)ddft`

BSENGexx=20 Ry # [BSK] Exchange components

BSENGBlk=3 Ry # [BSK] Screened interaction block size

#WehCpl # [BSK] eh interaction included also in coupling

KfnQPdb= "none" # [EXTQP BSK BSS] Database

KfnQP_N= 1 # [EXTQP BSK BSS] Interpolation neighbours

% KfnQP_E

1.440000 | 1.000000 | 1.000000 | # [EXTQP BSK BSS] E parameters (c/v) eV|adim|adim

%

KfnQP_Z= ( 1.000000 , 0.000000 ) # [EXTQP BSK BSS] Z factor (c/v)

KfnQP_Wv_E= 0.000000 eV # [EXTQP BSK BSS] W Energy reference (valence)

% KfnQP_Wv

0.00 | 0.00 | 0.00 | # [EXTQP BSK BSS] W parameters (valence) eV| 1|eV^-1

%

KfnQP_Wv_dos= 0.000000 eV # [EXTQP BSK BSS] W dos pre-factor (valence)

KfnQP_Wc_E= 0.000000 eV # [EXTQP BSK BSS] W Energy reference (conduction)

% KfnQP_Wc

0.00 | 0.00 | 0.00 | # [EXTQP BSK BSS] W parameters (conduction) eV| 1 |eV^-1

%

KfnQP_Wc_dos= 0.000000 eV # [EXTQP BSK BSS] W dos pre-factor (conduction)

% BEnRange

2.00000 | 10.00000 | eV # [BSS] Energy range

%

% BDmRange

0.10000 | 0.10000 | eV # [BSS] Damping range

%

BEnSteps= 100 # [BSS] Energy steps

% BLongDir

1.000000 | 1.000000 | 0.000000 | # [BSS] [cc] Electric Field

%

% BSEBands

8 | 9 | # [BSK] Bands range

%

The results for all other combination have been attached in [spectrum.pdf]. For completeness, I have also attached the wrong report file.

How can I fix this problem?

Thanks in advance.