Re: [QE-users] SCAN Functional not recognized in DOS.x

2023-09-20 Thread Fabrizio Ferrari Ruffino
Hello, I just tried and it works to me, the correct notation for the dft name would be 'SCAN-VV10', but I tried 'RVV10-SCAN' as in your case and it works too. Probably you are running dos with the xml file generated before the fix, however it should not make difference in terms of results,

[QE-users] Regarding screened exchange LDA calculations in quantum espresso

2023-09-20 Thread Priyanka A J, Res. Associate, Dept. of Physics, IIT (BHU) via users
Dear Quantum espresso users I want to run scf calculation using the nonlocal scheme of the screened exchange LDA calculation. I am unable to find the syntaxes for this simulation. Kindly suggest the syntax for the input file. Regards Priyanka ___ The