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
