Hi Dear All
I am trying to run exciying code for ag chsin on graphene, in the calculation of g0wo i immediately getting this warning :
Waining.out :
Warning(findband):
No energy limits found for l= 1
E-bottom -1000.000000 E-top -0.9500000000E-01
Warning(linengy):
Linearisation energy not found
for species 2 and atom 1
APW angular momentum 1
order 1
and s.c. loop 1
Warning(findband):
No energy limits found for l= 1
E-bottom -1000.000000 E-top -0.9500000000E-01
Warning(linengy):
Linearisation energy not found
for species 2 and atom 1
APW angular momentum 1
order 1
and s.c. loop 0
I don't know what is wrong.What is a suggestion to solve this problem؟
input.xml:.
<crystal scale="4.639055">
<basevect> 1.000000 0.000000 0.000000 </basevect>
<basevect> 0.000000 5.196152 0.000000</basevect>
<basevect> 0.000000 0.000000 6.000000 </basevect>
</crystal>
<species speciesfile="C.xml" rmt="1.20">
<atom coord="0.0000000 0.0000000 0.0000000"/>
<atom coord="0.5000000 0.0555556 0.0000000"/>
<atom coord="0.5000000 0.1666667 0.0000000"/>
<atom coord="0.0000000 0.2222222 0.0000000"/>
<atom coord="0.0000000 0.3333333 0.0000000"/>
<atom coord="0.5000000 0.3888889 0.0000000"/>
<atom coord="0.5000000 0.5000000 0.0000000"/>
<atom coord="0.0000000 0.5555556 0.0000000"/>
<atom coord="0.0000000 0.6666667 0.0000000"/>
<atom coord="0.5000000 0.7222222 0.0000000"/>
<atom coord="0.5000000 0.8333333 0.0000000"/>
<atom coord="0.0000000 0.8888889 0.0000000"/>
</species>
<species speciesfile="Ag.xml" rmt="1.20">
<atom coord="0.0000000 0.4444444 0.2500000"/>
</species>
</structure>
<groundstate
do="skip"
xctype="LDA_PZ"
ngridk="15 3 1"
rgkmax="4"
swidth="0.01">
</groundstate>
<gw
taskname="g0w0"
ngridq="15 3 1"
nempty="35"
ibgw="1"
nbgw="35"
>
<mixbasis
lmaxmb="3"
epsmb="1.d-4"
gmb="1.0"
></mixbasis>
<freqgrid
nomeg="32"
></freqgrid>
</gw>
</input>
thank in advance
Roozbeh