Commit 92f307ef authored by Matthias Redies's avatar Matthias Redies

fix a bug

parent d2e187fc
......@@ -219,8 +219,6 @@ CONTAINS
allocate(hybdat%prodm(maxval(mpdata%num_radbasfn), hybdat%max_indx_p_1, 0:maxval(hybinp%lcutm1), atoms%ntype), stat=ok)
IF (ok /= 0) call judft_error('eigen_hf: failure allocation hybdat%prodm')
call mpdata%init(hybinp, hybdat, atoms)
basprod = 0; hybdat%prodm = 0; mpdata%l1 = 0; mpdata%l2 = 0
mpdata%n1 = 0; mpdata%n2 = 0
IF(ALLOCATED(hybdat%nindxp1)) DEALLOCATE(hybdat%nindxp1) ! for spinpolarized systems
......
......@@ -125,6 +125,7 @@ CONTAINS
!construct the mixed-basis
CALL timestart("generation of mixed basis")
write (*,*) "iterHF = ", iterHF
call mpdata%init(hybinp, hybdat, atoms)
CALL mixedbasis(atoms, kpts, input, cell, xcpot, mpdata, hybinp, hybdat,&
enpara, mpi, v, iterHF)
CALL timestop("generation of mixed basis")
......
......@@ -510,6 +510,9 @@ contains
integer :: ok
if(.not. allocated(mpdata%num_radfun_per_l)) THEN
allocate(mpdata%num_radfun_per_l(0:atoms%lmaxd, atoms%ntype))
endif
if(.not. allocated(mpdata%l1)) then
allocate(mpdata%l1(hybdat%max_indx_p_1, 0:maxval(hybinp%lcutm1), atoms%ntype), stat=ok)
if (ok /= 0) call judft_error('mpdata_init: failure allocation mpdata%l1')
......
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