[Pw_forum] QUERY RELATED TO THE FERMI ENERGY?

2017-12-28 Thread Dhara Raval
output Dat file generated also...in this SCF file i got the Fermi energy is 6.6632 eVHow is this possible? it must be equal.. please give me your opinion on this query and any suggestion to solve the problem. thanks Dhara raval ___ Pw_forum

[Pw_forum] Lattice constant from hgh pp

2017-11-22 Thread Dhara Raval
Dear all, my name is Dhara i'm M.Phil student from gujarat university ,India and working with qe-6.1. I already optimized ecut and K-point for my system ErCu. The lattice constant that i get 4.595 a.u. which is very low compare to experimental value 6.481760 a.u. why that happaning