Commit 3200bad6 authored by Stefan Rost's avatar Stefan Rost

added errormessage for unfolding in case of unallowed parallelisation -...

added errormessage for unfolding in case of unallowed parallelisation - unfolding can now become a standard feature
parent 47c2c3a8
......@@ -249,6 +249,8 @@ CONTAINS
CALL timestop("EV output")
IF (banddos%unfoldband) THEN
IF(modulo (kpts%nkpt,mpi%n_size).NE.0) call juDFT_error("number kpts needs to be multiple of number mpi threads",&
hint=errmsg, calledby="eigen.F90")
CALL calculate_plot_w_n(banddos,cell,kpts,smat_unfold,zMat,lapw,nk,jsp,eig,results,input,atoms,unfoldingBuffer,mpi)
CALL smat_unfold%free()
DEALLOCATE(smat_unfold, stat=dealloc_stat, errmsg=errmsg)
......
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