mirror of https://gitlab.com/QEF/q-e.git
Backward-compatibility with old PP format solved hopefully for good.
Lines like the following, present in old PPs: 'PZ' read with "read(5,'(a)') dft" yield dft equal to 'PZ' instead of PZ git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7906 c92efa57-630b-4861-b058-cf58834340f0
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@ -1,6 +1,8 @@
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Fixed in svn version
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* More glitches with new xc functionals: HF, OEP, PZ
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* Removed lines in iotk that confused some preprocessors
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* More glitches with new xc functionals, compatibility with
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previous cases: HF, OEP, PZ
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* Variable-cell optimization at fixed volume broke hexagonal symmetry
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* NEB: possible problem in parallel execution (if command-line arguments
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are not available to all processors) avoided by broadcasting arguments
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@ -33,7 +33,7 @@ subroutine read_ncpp (iunps, np, upf)
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!====================================================================
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! read norm-conserving PPs
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!
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read (iunps, '(a)', end=300, err=300, iostat=ios) upf%dft
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read (iunps, *, end=300, err=300, iostat=ios) upf%dft
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if (upf%dft(1:2) .eq.'**') upf%dft = 'PZ'
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read (iunps, *, err=300, iostat=ios) upf%psd, upf%zp, lmax, nlc, &
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nnl, upf%nlcc, lloc, bhstype
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@ -1,4 +1,4 @@
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PZ
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'PZ'
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'Si',4.0,2,2,3,.f.,2,.t. ! pseudo BHS
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2.16 0.86 1.6054 -0.6054
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2.48 2.81 3.09
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@ -79,7 +79,7 @@ SUBROUTINE read_ncpp(iunps)
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CHARACTER (len=255) line
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EXTERNAL qe_erf
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READ(iunps, '(a)', end=300, err=300 ) dft_
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READ(iunps, *, end=300, err=300 ) dft_
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IF (dft_(1:2)=='**') dft_ = 'PZ'
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READ (iunps, *, err=300) psd_, zp_, lmax_, nlc, nnl, nlcc_, &
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