fix

Author: nandis99

testsGPU/pseudopotential/complex/accuracyBenchmarks/outputBccFe_scan

@@ -1,5 +1,10 @@
 number of atoms: 2
 number of atoms types: 1
+Z:26
+=============================================================================================================================
+number of electrons: 3.200000000000000000e+01
+number of eigen values: 36
+=============================================================================================================================
 Total number of k-points 8
 -----------Simulation Domain bounding vectors (lattice vectors in fully periodic case)-------------
 v1 : 5.368001262539999985e+00 0.000000000000000000e+00 0.000000000000000000e+00
@@ -23,10 +28,6 @@ number of degrees of freedom for the Kohn-Sham eigenvalue problem : 29791
 -------------------------------------------------
 
 Setting initial guess for wavefunctions....
-=============================================================================================================================
-number of electrons: 3.200000000000000000e+01
-number of eigen values: 36
-=============================================================================================================================
 
 Reading initial guess for electron-density.....