ABINIT Discussion Forums

Hi, I would like to use USPP PAW potentials for a calculation which consists B, C and N atoms. I have found GGA-USPP-PAW potentials for B and C but for not N. I have downloaded PPs from this link. m I found for B and C there are two files (a) GGA-ATOMPAW and (b) GGA-USPP-OPTIMIZED but for N found on...

Hi,
How can I perform SCGW0 calculation in Abinit. I have not found any related information about SCGW and SCGW0.
Could you please help what are the input paremeters I have to use in input file to perform scgw0 calculation.

BSE calculation gives a following error
exc_build_ham.F90:142:ERROR
Complex energies are not supported yet
Can someone give suggestions to fix this.

Thanks,
Naresh

Convert kss file to wfk (using binary kss2wfk) and run, hope it works

Hi,
After BSE caulcation, i want to plotexcitonic wavefunctions.
I used Abinit-6.8.1 to caclaulte optical absoption spectra including excitonic effets, can anyone help how can i do this?

Thanks,
Naresh

Hi, I am doing a GW calculation for Si, using input file s which has given in Abinit tutorial. Gw calculation reads kss and scr file from previous calculations. but my calculation is not reading kss and scr files and exits leaving following error in Abinit-7.0.4 setup_sigma.F90:313:WARNING Using WFK...