ABINIT Discussion Forums

Dear Jordan and Yann ,
After I did what Yann told me, i successfully install Abinit-7.8.2 on my Ubuntu14.04 with Jordan's script. Now, it works well. Thank you both a lot for helping me to work this out . You guys are amazing.
Best regards,
Johnny

Dear Jordan, Thank you very much for your kind help. I have run the script you gave to me. It went well initially untill following error message came up . Making all in src/low_level make[1]: Entering directory `/home/johnnyw/Downloads/etsf_io-1.0.4/src/low_level' make[1]: Nothing to be done for `al...

Dear devolper and users, I tried to configure abinit-7.8.2 with the suggested recipe by this forum ( i.e. same as abinit-7.6.3 for Ubuntu 13.04), but on the newest ubuntu14.04. I got an error related to etsf_io, error message is as follow configure: error: external etsf_io support does not work When...

Sometimes, when you start far from equilibrium position, the first SCF cycles do not converge or very badly. So you can impose a smaller nstep and go to the next broyden. You can help a litlle bit the convergence playing with input variables nline/nnsclo Jordan Dear Jordan Many thanks for your prec...

Dear Abinit users and developer, I substituted some hydrogen atoms of a relaxed large polycyclic aromatic molecule (54 carbon atoms and 18 hydrogen)molecule with oxygen groups (i.e. hydroxyl -OH and carboxyl -COOH ) then try to relax the system again with ionomov=2, when i encountered convergence pr...