Hi Pablo
We believe that it is not the case. We have made several tests with different number of walkers without any sucesss (when we use Mahan orbital). For plane wave it seems ok. Could you make a short run test with your imputs using latest casino version considering mahan orbital ?
Search found 6 matches
- Fri Dec 23, 2016 12:19 pm
- Forum: The CASINO program
- Topic: Orbital optimization of the electron-hole system
- Replies: 5
- Views: 32401
- Thu Dec 22, 2016 8:39 pm
- Forum: The CASINO program
- Topic: Orbital optimization of the electron-hole system
- Replies: 5
- Views: 32401
Re: Orbital optimization of the electron-hole system
Dear Pablo We would like to have your helping to understand what's going on with my QMC calculations for the hole-doped electron gas system using the CASINO code (latest version ). First of all, I would like to reproduce your data provided on http://dx.doi.org/10.17863/CAM.565 . Using exactly your i...
- Mon Nov 28, 2016 8:06 pm
- Forum: The CASINO program
- Topic: Orbital optimization of the electron-hole system
- Replies: 5
- Views: 32401
Re: Orbital optimization of the electron-hole system
Thanks for the advice.
- Wed Nov 23, 2016 4:19 pm
- Forum: The CASINO program
- Topic: Orbital optimization of the electron-hole system
- Replies: 5
- Views: 32401
Orbital optimization of the electron-hole system
Hello Casino users, I have tried to reproduce some results of the the article "Trion formation in a two-dimensional hole-doped electron gas" present in the list of papers published using the Casino program. I have done the optimization of the variational parameters to the backflow transfor...
- Fri May 16, 2014 2:07 pm
- Forum: The CASINO program
- Topic: calculate the condensate fraction of excitons
- Replies: 3
- Views: 13448
Re: calculate the condensate fraction of excitons
Thanks for the tip.
- Thu May 15, 2014 6:39 am
- Forum: The CASINO program
- Topic: calculate the condensate fraction of excitons
- Replies: 3
- Views: 13448
calculate the condensate fraction of excitons
Hello the Casino users I am struggling to calculate the condensate fraction of excitons in an electron-hole system using DMC. My question is: This is very time consuming to calculate? I did the following run test: 58 electron, 58 holes, Nwalkers=10 and Nstep=100 the time to performe one block took t...