Dear users and developers,
I am trying to calculate electron-electron scattering rates in metals based on PAW (ultrasoft) PP's. I found the example of Al in GW tutorial. I was wondering if anyone has calculated them successfully using the GW module in abinit itself. The yambo package seems to work only for norm-conserving pp's.
Please let me know.
Thanks
Ajit
e-e calculation using GW
Moderators: maryam.azizi, bruneval
e-e calculation using GW
Ajit Kumar Vallabhaneni
Virginia Tech
USA
Virginia Tech
USA
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- Posts: 14
- Joined: Tue Mar 15, 2016 3:09 am
Re: e-e calculation using GW
Dear Ajit,
The combination of GW and PAW in abinit is not fully working.
if you need PAW, you have to resort to GPAW or VASP.
Bests
LUCA
The combination of GW and PAW in abinit is not fully working.
if you need PAW, you have to resort to GPAW or VASP.
Bests
LUCA
Re: e-e calculation using GW
Dear users and developers,
I am trying to calculate electron-electron scattering rates in metals using Abinit and Yambo packages. I am trying to generate KSS file using abinit-7.6.4 and a psp8 pseudo potential to use it as an input for the yambo package. I am getting the following error:
At line 182 of the file psp8in.F90
Fortran Run time error:End of file
Can any one help me in fixing the issue? I repeated the same with abinit-8.0.8 and it worked successfully. Unfortunately the KSS file generated by v8.0 is not compatible with yambo. So, i have to use an older version. Please let me know if you have any thoughts.
Thanks
Ajit
I am trying to calculate electron-electron scattering rates in metals using Abinit and Yambo packages. I am trying to generate KSS file using abinit-7.6.4 and a psp8 pseudo potential to use it as an input for the yambo package. I am getting the following error:
At line 182 of the file psp8in.F90
Fortran Run time error:End of file
Can any one help me in fixing the issue? I repeated the same with abinit-8.0.8 and it worked successfully. Unfortunately the KSS file generated by v8.0 is not compatible with yambo. So, i have to use an older version. Please let me know if you have any thoughts.
Thanks
Ajit
Ajit Kumar Vallabhaneni
Virginia Tech
USA
Virginia Tech
USA