Dear exciting community

I’m calculating bse for an organic compound.
With the following input.xml, I faced this error:

Error(getbsemat): inconsistent (k, kp)-index
requested : 22
stored at requested position : 0

Abort

What does this error mean?

Input.xml is:

<input>

<title>organic</title>

<structure speciespath="/opt/exciting/species" autormt="false">

<crystal>
<basevect>36.00892824 0.000000000 0.000000000</basevect>
<basevect>0.000000000 12.35085255 0.000000000</basevect>
<basevect>0.000000000 0.000000000 9.428385065</basevect>
</crystal>

<species speciesfile="C.xml" rmt="1.16">
<atom coord="0.12286284 0.73723239 0.45231397"/>
<atom coord="0.87713126 0.26275796 0.95227633"/>
<atom coord="0.37623444 0.73731871 0.95218094"/>
<atom coord="0.62376003 0.26269135 0.45221567"/>
<atom coord="0.16754693 0.90544699 0.46917516"/>
<atom coord="0.83247506 0.09448437 0.96912521"/>
<atom coord="0.33141615 0.90524404 0.96910577"/>
<atom coord="0.66860541 0.09482330 0.46915155"/>
<atom coord="0.09495980 0.03217747 0.83109198"/>
<atom coord="0.90502317 0.96798342 0.33136552"/>
<atom coord="0.40397136 0.03253987 0.33090399"/>
<atom coord="0.59601144 0.96729982 0.83062625"/>
<atom coord="0.15374596 0.05729737 0.66158607"/>
<atom coord="0.84626723 0.94273745 0.16175266"/>
<atom coord="0.34514332 0.05724960 0.16148162"/>
<atom coord="0.65486957 0.94271490 0.66131121"/>
<atom coord="0.06454089 0.71013945 0.61815687"/>
<atom coord="0.93542222 0.28998484 0.11831495"/>
<atom coord="0.43461348 0.71066486 0.11796647"/>
<atom coord="0.56534940 0.28921018 0.61780130"/>
<atom coord="0.05139902 0.86175196 0.80835012"/>
<atom coord="0.94856522 0.13845515 0.30860385"/>
<atom coord="0.44766469 0.86237962 0.30810658"/>
<atom coord="0.55229934 0.13741328 0.80784642"/>
</species>

<species speciesfile="N.xml" rmt="1.16">
<atom coord="0.13734107 0.58222363 0.24727830"/>
<atom coord="0.86267159 0.41767255 0.74709885"/>
<atom coord="0.36189466 0.58215669 0.74714223"/>
<atom coord="0.63812092 0.41795255 0.24732837"/>
<atom coord="0.19896967 0.22227375 0.69195037"/>
<atom coord="0.80106400 0.77771671 0.19215673"/>
<atom coord="0.29981313 0.22201023 0.19184612"/>
<atom coord="0.70022004 0.77799851 0.69163642"/>
</species>

<species speciesfile="O.xml" rmt="1.16">
<atom coord="0.09597083 0.43608013 0.22748155"/>
<atom coord="0.90405008 0.56378918 0.72718052"/>
<atom coord="0.40347814 0.43656058 0.72696929"/>
<atom coord="0.59654457 0.56357205 0.22726839"/>
<atom coord="0.18962314 0.60326676 0.10154746"/>
<atom coord="0.81039792 0.39658931 0.60132774"/>
<atom coord="0.30951353 0.60261582 0.60173391"/>
<atom coord="0.69050754 0.39752416 0.10194652"/>
</species>

<species speciesfile="H.xml" rmt="0.66">
<atom coord="0.23083241 0.24905437 0.53015022"/>
<atom coord="0.76919289 0.75085709 0.03040273"/>
<atom coord="0.26791937 0.24865871 0.03007277"/>
<atom coord="0.73210529 0.75142837 0.52981714"/>
<atom coord="0.17830683 0.35115427 0.77622391"/>
<atom coord="0.82172274 0.64888080 0.27659384"/>
<atom coord="0.32040132 0.35099523 0.27615324"/>
<atom coord="0.67962878 0.64897164 0.77578544"/>
<atom coord="0.21210608 0.91677716 0.33412133"/>
<atom coord="0.78793972 0.08301893 0.83395319"/>
<atom coord="0.28681099 0.91621614 0.83417475"/>
<atom coord="0.71323457 0.08398683 0.33434096"/>
<atom coord="0.08436387 0.14874592 0.98155243"/>
<atom coord="0.91561788 0.85146575 0.48190440"/>
<atom coord="0.41450245 0.14922538 0.48132520"/>
<atom coord="0.58547866 0.85056316 0.98096782"/>
<atom coord="0.03092629 0.57676721 0.59781831"/>
<atom coord="0.96901138 0.42341905 0.09801474"/>
<atom coord="0.46829362 0.57741736 0.09763411"/>
<atom coord="0.53164428 0.42239637 0.59742946"/>
<atom coord="0.00625679 0.84735294 0.94131004"/>
<atom coord="0.99369415 0.15293541 0.44162891"/>
<atom coord="0.49282291 0.84823494 0.44106192"/>
<atom coord="0.50712766 0.15147600 0.94073555"/>
</species>

</structure>
<groundstate

xctype="LDA_PW"
rgkmax="2.7"
ngridk="2 4 4"
maxscl="250"
nempty="30"
gmaxvr="14">
</groundstate>

<xs xstype="BSE"
rgkmax="2.70"
ngridq="2 4 4"
ngridk="2 4 4"
nempty="30"
lmaxapwwf="3.0"
gqmax="1.7"
broad="0.003674933"
tevout="true" nosym="true">

<energywindow intv="0.0 1.5"
points="2400" />

<screening screentype="full"
nempty="110" />

<BSE bsetype="singlet"
nstlbse="82 104 1 30"
nstlbsemat="82 104 1 30"
aresbse="false"/>

<qpointset>
<qpoint> 0.0 0.0 0.0 </qpoint>
</qpointset>
</xs>

</input>

Thank you

Best wishes

Hajar

Dear Caterina

Thank you for your reply and consideration.
Initially, I run my calculation with input mentioned above (I listed both ground state and BSE blocks in my input.xml simultaneously. The ground state was performed successfully and then immediately all the BSE was run).

It is worthwhile to mention that in another directory, a such input.xml was performed just with the lower k-points in both blocks (ngridk and ngridq were "2 3 3").