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An error when calculating non-linear properties

From: "Zhang, Waigen" <wg.zhang@okstate.edu>
To: <forum@abinit.org>
Subject: An error when calculating non-linear properties
Date: Wed, 28 Mar 2007 23:26:16 -0500

Title: An error when calculating non-linear properties

Dear all,
I am getting an error when calculating raman-tensor.The calculation stopped
at the beginning of 3DTE calculation.The error message in output files is

'getshell : BUG -
There is a problem with the finite difference _expression_ of the ddk
Action : contact ABINIT group.'

The attachment is the input file in case it may help fix this problem.

Thanks a lot

Zhang

Attachment: raman.in
Description: raman.in

An error when calculating non-linear properties, Zhang, Waigen, 03/29/2007
- Re: [abinit-forum] An error when calculating non-linear properties, Philippe Ghosez, 03/29/2007
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