forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: Re: [abinit-forum] prtfsurf error

From: <watermall@126.com>
To: forum@abinit.org
Subject: Re: Re: [abinit-forum] prtfsurf error
Date: Thu, 11 Dec 2008 07:04:07 +0100 (CET)

I have checked shiftk with 0 0 0 and 0.0 0.0 0.0, the problem remains.

But after I modified and recompiled chkinp.F90 as you suggested, the job works
fine without complaints.
================================================================================

chkinp: machine precision is 2.2204460492503131E-16

chkinp: Checking input parameters for consistency.

================================================================================================================================================================
== DATASET 1
==================================================================
..........................

Thank you for your help.

Best wishes,

Cheng YC
Nanjing University

[abinit-forum] prtfsurf error, watermall, 12/10/2008
- Re: [abinit-forum] prtfsurf error, Matteo Giantomassi, 12/10/2008
  - Re: Re: [abinit-forum] prtfsurf error, watermall, 12/11/2008
  - Re: Re: [abinit-forum] prtfsurf error, watermall, 12/11/2008
- [abinit-forum] ecutsm and electronic convergence, Emmanuel Arras, 12/11/2008