From 25bd6faf7cd2ddaec6529810bb8738e2f36d69fa Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 14 Dec 2018 06:39:49 +0100 Subject: [PATCH] left over "if" caused wrong coordinate systems for hex --- src/lattice.f90 | 3 --- 1 file changed, 3 deletions(-) diff --git a/src/lattice.f90 b/src/lattice.f90 index b54feb007..1da02e192 100644 --- a/src/lattice.f90 +++ b/src/lattice.f90 @@ -2657,12 +2657,9 @@ function buildCoordinateSystem(active,complete,system,structure,cOverA) normal = system(4:6,c) case ('hex') - if (cOverA < 1.0_pReal .or. cOverA > 2.0_pReal) & - direction = [ system(1,c)*1.5_pReal, & (system(1,c)+2.0_pReal*system(2,c))*sqrt(0.75_pReal), & system(4,c)*cOverA ] ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)]) - normal = [ system(5,c), & (system(5,c)+2.0_pReal*system(6,c))/sqrt(3.0_pReal), & system(8,c)/cOverA ] ! plane (hkil)->(h (h+2k)/sqrt(3) l/(c/a))