Re: [Wien] Problem with dielectric function

y ; awk -F' ' '{print $1} # 18.8E' the latter has already been tested and the problem has been resolved Sincerely H. Bouafia Le ven. 22 mars 2024 à 12:14, Hamza BFA a écrit : > Dear Prof. P. Blaha, > emax =2.5 Ry was chosen > 3000 Kpoints > here are the steps followed > emax =2.5 Ry

Re: [Wien] Problem with dielectric function

, Hamza BFA a écrit : > Hi, > after an optical calculation of a narrow gap semiconductor with PBEsol > functional, I obtained a zero imaginary part and a constant real part > (equal to 1) of the dielectric function. > More details : > 23.2 version > init -prec 2 -numk 1500 -noh

[Wien] Problem with dielectric function

Hi, after an optical calculation of a narrow gap semiconductor with PBEsol functional, I obtained a zero imaginary part and a constant real part (equal to 1) of the dielectric function. More details : 23.2 version init -prec 2 -numk 1500 -nohdlo -sp -b runsp -p -ec 0.1 input files are in