diff --git a/Doc/release-notes b/Doc/release-notes index cd0626f05..f4dd4ec75 100644 --- a/Doc/release-notes +++ b/Doc/release-notes @@ -1,6 +1,8 @@ Fixed in svn version - * More glitches with new xc functionals: HF, OEP, PZ + * Removed lines in iotk that confused some preprocessors + * More glitches with new xc functionals, compatibility with + previous cases: HF, OEP, PZ * Variable-cell optimization at fixed volume broke hexagonal symmetry * NEB: possible problem in parallel execution (if command-line arguments are not available to all processors) avoided by broadcasting arguments diff --git a/Modules/read_ncpp.f90 b/Modules/read_ncpp.f90 index 8fac516b9..5b3a67d92 100644 --- a/Modules/read_ncpp.f90 +++ b/Modules/read_ncpp.f90 @@ -33,7 +33,7 @@ subroutine read_ncpp (iunps, np, upf) !==================================================================== ! read norm-conserving PPs ! - read (iunps, '(a)', end=300, err=300, iostat=ios) upf%dft + read (iunps, *, end=300, err=300, iostat=ios) upf%dft if (upf%dft(1:2) .eq.'**') upf%dft = 'PZ' read (iunps, *, err=300, iostat=ios) upf%psd, upf%zp, lmax, nlc, & nnl, upf%nlcc, lloc, bhstype diff --git a/pseudo/Si.bhs b/pseudo/Si.bhs index e419e40cd..6ee110944 100644 --- a/pseudo/Si.bhs +++ b/pseudo/Si.bhs @@ -1,4 +1,4 @@ -PZ +'PZ' 'Si',4.0,2,2,3,.f.,2,.t. ! pseudo BHS 2.16 0.86 1.6054 -0.6054 2.48 2.81 3.09 diff --git a/upftools/ncpp2upf.f90 b/upftools/ncpp2upf.f90 index 2c50b2ebd..b745a2267 100644 --- a/upftools/ncpp2upf.f90 +++ b/upftools/ncpp2upf.f90 @@ -79,7 +79,7 @@ SUBROUTINE read_ncpp(iunps) CHARACTER (len=255) line EXTERNAL qe_erf - READ(iunps, '(a)', end=300, err=300 ) dft_ + READ(iunps, *, end=300, err=300 ) dft_ IF (dft_(1:2)=='**') dft_ = 'PZ' READ (iunps, *, err=300) psd_, zp_, lmax_, nlc, nnl, nlcc_, &