[Pw_forum] EXX_examples , Molecules and InAs

[Saeedeh S Ravandi]

Dear Layala , 

Thanks for running EXX , my question wasnt about si , I was wondering if the molecules in your examples are working or not ?

Do you have any idea, why , I am keep getting this error (as my input file , I am following the example) : This is the error"

from read-namelists : error # 88 
reading namelists control 




MY INPUT FILE :

& control 

calculation='scf'
restart_mode= 'from_scratch'
prefix= ' InAs'
pseudo_dir= '$PSEUDO_DIR/'
outdir= '$TMP_DIR/'
/
&system
  ibrav =2, celldm(1) =11.389792, nat=2, ntyp=2 , nbnd=16, input_dft='hse', nqx1=1nq, nqx2=1nq,  nqx3=1nq, ecutwft=18.0, x_gamma_extrapolation = ".TRUE."
/
&electrons
 mixing_beta = 0.7D0
/
ATOMIC_SPECIES
 In 114.818 In.pz-bhs.UPF
 As 74.92160 As.pz-bhs.UPF
ATOMIC_POSITIONS
 In  0.00 0.00 0.00    
 As  0.25 0.25 0.25
K_POINTS automatic 
3 3 3 0 0 0 







Best Regards,
Saeedeh Ravandi