[QE-users] Installing on Mac

2018-12-26 Thread Mehmet ERDEM
I have troubles installing quantum espresso to the Mac. I currently use the last version, I even used previous versions in linux. When I try to configure, it says you need Fortran compiler which is expensive in Mac, whereas it is free in linux. Mehmets-MacBook-Pro:qe-6.3 ERDEM$ ./configure

[QE-users] Installing on Mac

2018-12-25 Thread Mehmet ERDEM
I have troubles installing quantum espresso to the Mac. I currently use the last version, I even used previous versions in linux. When I try to configure, it says you need Fortran compiler which is expensive in Mac, whereas it is free in linux. Mehmets-MacBook-Pro:qe-6.3 ERDEM$ ./configure

[QE-users] Optical properties

2019-09-12 Thread Mehmet ERDEM
Dear All, I need to calculate Refractive/reflective index vs. Energy. I don't know what to use. Using epsilon.x, I can find reel and imaginary parts. I know that there is a relationship between reflective/refractive index (n,k) and dielectric function (epsilon1-epsilon2), however I have