ABINIT Discussion Forums

Dear all

Ist there any possibility to get quasi particle eigenenergies
and eigenfunctions after GW calculations in KSS format file like ground state calculation ?

Bests
Vito

Hi all, I don't know why when i run a GW calculation on V4O6 system, i don't get the optical and fundamental band gap any more after Etot is converged. For Si2 i obtain optical and fundamental band gap after iterations are completed but not any more for V4O6. Is there some thing wrong in my input fi...

Hi all,

i am doing some gw band correction calculations on Ice Ih.
But gw log file gets stuck at this point "m_wfs.F90:5106:COMMENT Changing FFT mesh" and the calculation runs and runs, ... No end in sight.

Do i have some thing wrong in my input file ???

Bests
Vito

TDDFT gives unfortunately very poor result for absorption spectrum of a very simple system like water.
I have enough computing capabilities but not enough for BSE liquid calculations.
Any way i have to forget it.

Thanks

Hi all,

Does Abinit have the capability of running ab initio calculation of optical spectra of liquids using many body effects in the electronic excitations of liquids (BSE) ?
If not, does any one know of any other program which potentially is able to tackle this issue ???

Bests
Vito