diff --git a/eigen/vacfun.f90 b/eigen/vacfun.f90 index caa5b2b9a7d27e1b53bc2c7c199f356b6f5b1763..e83399645f3506acc95f56cda9e1015f4c4bdcb9 100644 --- a/eigen/vacfun.f90 +++ b/eigen/vacfun.f90 @@ -53,7 +53,7 @@ CONTAINS REAL u(vacuum%nmzd,size(duz,1),input%jspins),ud(vacuum%nmzd,size(duz,1),input%jspins) REAL v(3),x(vacuum%nmzd), qssbti(2,2) ! .. - fac=MERGE(1.0,-1.0,jspin1>=jspin2) + fac=MERGE(1.0,-1.0,jspin1<=jspin2) ipot=MERGE(jspin1,3,jspin1==jspin2) tuuv=0.0;tudv=0.0;tddv=0.0;tduv=0.0