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-rw-r--r--src/sfac.c7
1 files changed, 6 insertions, 1 deletions
diff --git a/src/sfac.c b/src/sfac.c
index c2ccc1bc..e70bc750 100644
--- a/src/sfac.c
+++ b/src/sfac.c
@@ -394,6 +394,7 @@ double complex *get_reflections(struct molecule *mol, double en)
signed int h, k, l;
//double tscat = 0.0;
//double F00;
+ const int do_thermal = 1;
cell_get_reciprocal(mol->cell, &asx, &asy, &asz,
&bsx, &bsy, &bsz,
@@ -437,7 +438,11 @@ double complex *get_reflections(struct molecule *mol, double en)
}
sfac = get_sfac(spec->species, s, en);
- F += sfac * contrib * exp(-2.0 * spec->B[j] * s);
+ F += sfac * contrib;
+
+ if ( do_thermal ) {
+ F *= exp(-2.0 * spec->B[j] * s);
+ }
}