Commit 187eb93a authored by Gregor Michalicek's avatar Gregor Michalicek

Add some missing allocations and initializations for hybrid functionals calculations

parent 37074f89
......@@ -307,9 +307,16 @@
selct2(3,:) = 4
selct2(4,:) = 2
ALLOCATE(hybrid%lcutwf(atoms%ntype))
ALLOCATE(hybrid%lcutm1(atoms%ntype))
ALLOCATE(hybrid%select1(4,atoms%ntype))
hybrid%lcutwf = atoms%lmax - atoms%lmax / 10
hybrid%ewaldlambda = 3
hybrid%lexp = 16
hybrid%lcutm1 = 4
hybrid%select1(1,:) = 4
hybrid%select1(2,:) = 0
hybrid%select1(3,:) = 4
hybrid%select1(4,:) = 2
bands = max( nint(input%zelec)*10, 60 )
nkpt3 = (/ 4, 4, 4 /)
l_gamma = .false.
......
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