[Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials
Ali KACHMAR
kachmar_ali at hotmail.fr
Sun Jan 20 04:36:57 CET 2013
Dear Paolo,
I was sure I used the correct LMAX and found not for the local part.
I am still having an error with epsilon.x in the svn version and A. Ferreti is kindly looking to see if there is a problem.
This is the error I am getting
###################################################
# FROM IOTK LIBRARY, VERSION 1.2.0
# UNRECOVERABLE ERROR (ierr=1)
# ERROR IN: iotk_scan_end (iotk_scan.f90:241)
# CVS Revision: 1.23
# foundl
# ERROR IN: iotk_close_read (iotk_files.f90:746)
# CVS Revision: 1.20
####################################################
It could be my compiler is buggy. Why epsilon is working with QE4.2.1 which is compiled with the same compiler?
Thank you very much,
Ali
> From: giannozz at democritos.it
> To: pw_forum at pwscf.org
> Date: Fri, 18 Jan 2013 09:27:30 +0100
> Subject: Re: [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials
>
> On Fri, 2013-01-18 at 08:06 +0000, Ali KACHMAR wrote:
>
> > ============================================================
> > | Pseudopotential Report
> [...]
> > | USE L=0 AS LOCAL and LMAX=D
>
> did you?
>
> P.
>
> --
> Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
>
>
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