I not find in this site about spin-orbit calculation with more details. So, I created one input with spin-orbit calculation and automatic radius (autormt) and maked the convergence test, without errors and files "warnings.out". But, when I calculated volume optimization, it have points off the curve. I changed the muffin-tin radius and some parameters, but the error continues. Please, what can the problem? Below is the original input:

<input>

<title>TlN - zinc-blende</title>

<structure speciespath="/home/user-fiscampus/exciting-code/exciting/species" autormt="true">

<crystal scale="9.975">
<basevect>0.0 0.5 0.5</basevect>
<basevect>0.5 0.0 0.5</basevect>
<basevect>0.5 0.5 0.0</basevect>
</crystal>

<species speciesfile="Tl.xml">
<atom coord="0.00 0.00 0.00"/>
</species>

<species speciesfile="N.xml">
<atom coord="0.25 0.25 0.25"/>
</species>

</structure>

<groundstate
do = "fromscratch"
stype="Methfessel-Paxton 1"
ngridk="4 4 4"
xctype="LDA_PW"
rgkmax="7.0"
swidth="0.0001"
nempty="40">

<spin
bfieldc="0.0 0.0 -1.0"
reducebf="0.5"
spinorb="true">
</spin>

</groundstate>

</input>