[WARNING] DIPOLES database not correct or not present
Posted: Wed Dec 23, 2020 5:44 pm
Hello!
I'm doing some convergence test on a system and I got this error related to dipoles database. The yambo is compiled on top of a Quantum-Espresso 6.7. I was able to perform SCF and NSCF calculations and extract the SAVE folder with p2y with no problems. I initialized and generated the yambo input but I can't get through this error. Can somebody shed some light please?
In attachment you'll find the inputs for scf, nscf and yambo. And also the r_setup and the r- file generated by yambo accusing the mentioned error. It's worth to mention that I was able to run this system up to BndsRnXp = 700, but on another machine with the exact same inputs. Now I'm using another machine which lends me this error, even if the p2y seems work fine. Could this be a compilation problem on yambo? Or is something else?
Best regards,
I'm doing some convergence test on a system and I got this error related to dipoles database. The yambo is compiled on top of a Quantum-Espresso 6.7. I was able to perform SCF and NSCF calculations and extract the SAVE folder with p2y with no problems. I initialized and generated the yambo input but I can't get through this error. Can somebody shed some light please?
In attachment you'll find the inputs for scf, nscf and yambo. And also the r_setup and the r- file generated by yambo accusing the mentioned error. It's worth to mention that I was able to run this system up to BndsRnXp = 700, but on another machine with the exact same inputs. Now I'm using another machine which lends me this error, even if the p2y seems work fine. Could this be a compilation problem on yambo? Or is something else?
Best regards,