[Q-e-developers] Small typo in PHonon 5.1 PH/ef_shift.f90 and missing inits in pseudo_types.f90

[Åke Sandgren]

Hi!

Found this little typo.
Patch attached

There is also a bunch of missing initializations in 
Modules/pseudo_types.f90, also attached

-- 
Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden
Internet: ake at hpc2n.umu.se   Phone: +46 90 7866134 Fax: +46 90-580 14
Mobile: +46 70 7716134 WWW: http://www.hpc2n.umu.se
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diff -ru PHonon/PH/ef_shift.f90 espresso-5.1/amd64/PHonon/PH/ef_shift.f90
--- PHonon/PH/ef_shift.f90	2014-05-28 12:07:20.000000002 +0200
+++ espresso-5.1/amd64/PHonon/PH/ef_shift.f90	2014-08-13 08:49:27.000000002 +0200
@@ -100,7 +100,7 @@
      ! symmetrizes the Fermi energy shift
      !
      if (.not.lgamma_gamma) call sym_def (def, irr)
-     WRITE( stdout, '(5x,"Pert. #",i3,": Fermi energy shift (Ry) =", 2es15.4)')&
+     WRITE( stdout, '(5x,"Pert. #",i3,": Fermi energy shift (Ry) =", 2e15.4)')&
           (ipert, def (ipert) , ipert = 1, npert (irr) )
      !
      ! corrects the density response accordingly...
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diff -ru site/Modules/pseudo_types.f90 debug-gcc/Modules/pseudo_types.f90
--- site/Modules/pseudo_types.f90	2012-11-21 13:39:55.000000002 +0100
+++ debug-gcc/Modules/pseudo_types.f90	2014-04-03 14:58:33.000000002 +0200
@@ -180,6 +180,11 @@
     NULLIFY( paw%ae_vloc )
     NULLIFY( paw%augmom )
     NULLIFY( paw%oc )
+    paw%raug = 0.0
+    paw%core_energy = 0.0
+    paw%iraug = 0
+    paw%lmax_aug = 0
+    paw%augshape = ''
   END SUBROUTINE nullify_paw_in_upf
 
   SUBROUTINE deallocate_paw_in_upf( paw )
@@ -224,6 +229,39 @@
     NULLIFY ( upf%gipaw_wfs_rcut )
     NULLIFY ( upf%gipaw_wfs_rcutus )
     NULLIFY ( upf%gipaw_wfs_ps )
+    upf%tvanp = .false.
+    upf%tcoulombp = .false.
+    upf%nlcc = .false.
+    upf%dft = ''
+    upf%zp = 0.0
+    upf%etotps = 0.0
+    upf%ecutwfc = 0.0
+    upf%ecutrho = 0.0
+    upf%nv = ''
+    upf%lmax = 0
+    upf%lmax_rho = 0
+    upf%nwfc = 0
+    upf%nbeta = 0
+    upf%kkbeta = 0
+    upf%mesh = 0
+    upf%xmin = 0.0
+    upf%rmax = 0.0
+    upf%zmesh = 0.0
+    upf%dx = 0.0
+    upf%lloc = 0
+    upf%rcloc = 0.0
+    upf%q_with_l = .false.
+    upf%nqf = 0
+    upf%nqlc = 0
+    upf%qqq_eps = 0.0
+    upf%has_wfc = .false.
+    upf%paw_data_format = 0
+    upf%tpawp = .false.
+    upf%has_gipaw = .false.
+    upf%paw_as_gipaw = .false.
+    upf%gipaw_data_format = 0
+    upf%gipaw_ncore_orbitals = 0
+    upf%gipaw_wfs_nchannels = 0
     RETURN
   END SUBROUTINE nullify_pseudo_upf