Initial commit

Cu_bulk/cu.scf.in

+&control
+    calculation='scf'
+    restart_mode='from_scratch',
+    pseudo_dir = '$PSEUDO_DIR/',
+    outdir='$TMP_DIR/'
+    prefix='cu'
+    tstress = .true.
+    tprnfor = .true.
+ /
+ &system
+    ibrav = 2, celldm(1) =6.73, nat= 1, ntyp= 1,
+    ecutwfc = 25.0, ecutrho = 300.0
+    occupations='smearing', smearing='gaussian', degauss=0.02
+ /
+ &electrons
+    diagonalization='$diago'
+    conv_thr = 1.0e-8
+    mixing_beta = 0.7
+ /
+ATOMIC_SPECIES
+ Cu 63.55 Cu.pz-d-rrkjus.UPF
+ATOMIC_POSITIONS
+ Cu 0.0 0.0 0.0
+K_POINTS (automatic)
+ 8 8 8 0 0 0