added missing ref output file for test_007

testsuite/test_007_isol_CH_spinpol_1proc_PBE0CRI/Conquest_out.ref

@@ -0,0 +1,89 @@
+    ________________________________________________________________________
+
+                                    CONQUEST                                
+
+                Concurrent Order N QUantum Electronic STructure             
+    ________________________________________________________________________
+
+     Conquest lead developers:                                              
+      D.R.Bowler (UCL, NIMS), T.Miyazaki (NIMS), A.Nakata (NIMS),           
+      L. Truflandier (U. Bordeaux)                                          
+
+     Developers:                                                            
+      M.Arita (NIMS), J.S.Baker (UCL), V.Brazdova (UCL), R.Choudhury (UCL), 
+      S.Y.Mujahed (UCL), J.T.Poulton (UCL), Z.Raza (NIMS), A.Sena (UCL),    
+      U.Terranova (UCL), L.Tong (UCL), A.Torralba (NIMS)                    
+
+     Early development:                                                     
+      I.J.Bush (STFC), C.M.Goringe (Keele), E.H.Hernandez (Keele)           
+
+     Original inspiration and project oversight:                            
+      M.J.Gillan (Keele, UCL)                                               
+    ________________________________________________________________________
+
+    Simulation cell dimensions:    37.7945 a0 x    37.7945 a0 x    37.7945 a0
+
+      Atomic coordinates (a0)
+         Atom         X         Y         Z  Species
+            1   18.8973   18.8973   19.9560        2
+            2   18.8973   18.8973   17.8385        1
+
+    Default k-point sampling of Gamma point only
+
+    This job was run on  2024/12/03 at 17:02 +0100
+    Code was compiled on 2024/12/03 at 14:46 +0100
+    Version comment: Git Branch: f-exx-opt; tag, hash: v1.3-256-gfe08b5ca
+
+    Job title: isolated CH with PBE0                                                           
+    Job to be run: static calculation
+
+    Ground state search:
+      Support functions represented with PAO basis
+      1:1 PAO to SF mapping
+      Spin-polarised electrons; population difference free
+      Solving for the K matrix using diagonalisation 
+
+    Integration grid spacing:  0.210 a0 x 0.210 a0 x 0.210 a0
+
+    Number of species:  2
+    --------------------------------------------------------
+    |   #  mass (au)  Charge (e)  SF Rad (a0)  NSF  Label  |
+    --------------------------------------------------------
+    |   1      1.008       1.000        7.139    1  H      |
+    |   2     12.011       4.000        6.509    9  C      |
+    --------------------------------------------------------
+
+    The calculation will be performed on     1 process
+
+    The calculation will be performed on     1 thread
+
+    Using the default matrix multiplication kernel
+
+    The functional used will be hyb PBE0       
+
+    PulayMixSC: Reached SCF tolerance of  0.46530E-04 after      7 iterations
+      | Number of electrons (u/d)=         3.000003        2.000002
+      |* Harris-Foulkes energy   =        -6.193030183966469 Ha
+
+    force: Forces on atoms (Ha/a0)
+    force:  Atom   X              Y              Z
+    force:     1   0.0000000000  -0.0000000000   0.1191612244
+    force:     2   0.0000000000   0.0000000000  -0.1206586929
+
+    force: Maximum force :        0.12065869(Ha/a0) on atom         2 in z direction
+    force: Force Residual:        0.11991230 Ha/a0
+    force: Total stress:          0.00023111     0.00023129    -0.13944795 GPa
+
+    BIBLIOGRAPHY: Please consider citing the following references in the conquest.bib file
+
+    CONQUEST:         Bowler2002pt, Miyazaki2004, Nakata2020
+    Basis:            Bowler2019
+    DM:               Bowler:2006xr
+    Pseudopotentials: Hamann2013, Bowler2019
+
+
+    Warnings written to file Conquest_warnings; please check
+
+    Max total mem use is           1984.749 MB
+
+    Total run time was:              68.902 seconds