[Pw_forum] cpmd2upf.f90 file
Dariusz Chrobak
dchrobak at us.edu.pl
Tue May 4 11:01:26 CEST 2004
Dear PWSCF users and developers,
I have a problem with pseudopotential transformation from cpmd format to
upf one.
The following information appears during transformation:
... some &FIELD card missing ...
but after small modification of the cpmd2upf.f90 file :
(from line number 154)
else if (matches ("&NLCC", trim(line)) ) then
found=found+1 <---- added line
nlcc_ = .true.
read (iunps, '(a)') line
if (.not. matches ("NUMERIC", trim(line)) ) &
call errore('read_cpmd','core-correction not allowed',1)
read(iunps, *) mesh_
allocate (rho_atc_(mesh_))
read(iunps, * ) (r_(i), rho_atc_(i), i=1,mesh_)
compiled program seems to work well.
What do you think about this change?
Best regards Dariusz Chrobak
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