[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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> Pw_forum at pwscf.org
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