Commit d03d1d33 authored by Gregor Michalicek's avatar Gregor Michalicek

Fixed sporadically occuring floating invalid error in qpw_to_nmt

The error occured in line 172 and could be tracked back to a missing
initialization of rho in stden.
parent b5c85aae
......@@ -96,6 +96,7 @@
ALLOCATE ( rht(vacuum%nmzd,2,DIMENSION%jspd),vbar(2,atoms%ntypd),sigm(vacuum%nmzd) )
ALLOCATE ( rhoss(DIMENSION%msh,DIMENSION%jspd) )
enpara%enmix=1.0
rho = 0.0
IF (mpi%irank == 0) THEN
!---> if sigma is not 0.0, then divide this charge among all atoms
......
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