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Commit 4d496458 authored by Gregor Michalicek's avatar Gregor Michalicek
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Fixed bug in global/chkmt.f90

The bug lead to wrong MT radii. I hope I fixed it at the right place.
parent e8f30e83
...@@ -125,7 +125,7 @@ ...@@ -125,7 +125,7 @@
taualAux(1,i) = atoms%taual(1,i) - FLOOR(atoms%taual(1,i)) taualAux(1,i) = atoms%taual(1,i) - FLOOR(atoms%taual(1,i))
taualAux(2,i) = atoms%taual(2,i) - FLOOR(atoms%taual(2,i)) taualAux(2,i) = atoms%taual(2,i) - FLOOR(atoms%taual(2,i))
taualAux(3,i) = atoms%taual(3,i) - FLOOR(atoms%taual(3,i)) taualAux(3,i) = atoms%taual(3,i) - FLOOR(atoms%taual(3,i))
posAux(:,i) = matmul(amatAux,taualAux(:,i)) posAux(:,i) = MATMUL(TRANSPOSE(amatAux),taualAux(:,i))
END DO END DO
! 2. Get minimal and maximal coordinates for auxiliary unit cell ! 2. Get minimal and maximal coordinates for auxiliary unit cell
......
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