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- From: sederenzo@lbl.gov
- To: forum@abinit.org
- Subject: Use of band2eps
- Date: Wed, 7 Sep 2005 07:32:32 +0200
To gain experience with band2eps, I added "eivec2 4" directly after "band2 8"
in the file t35.in in the ABINIT/Tutorial/Work3 directory and ran
../../abinis <t35.files >&t35.log
which generated the output files
t35.out, t35.log, t35o_DS2_WFK, t35o_DS1_WFK, t35o_DS1_DEN, and t35o_DS1_DDB.
Note that t35i and t35o were not created.
I then ran
../../band2eps <t35.files >&t35.band2eps.log
No eps file was created and the t35.band2eps.log file contained:
Opening file t35.out
Opening file t35i
Opening file t35o
Opening file t35.in
? FORTRAN Runtime Error:
? Illegal character in numeric input
? READ(UNIT=21,...
Clearly band2eps is unhappy. Please tell me what I am doing wrong,
Thanks
Stephen Derenzo
- Use of band2eps, sederenzo, 09/07/2005
- Re: [abinit-forum] Use of band2eps, D. R. Hamann, 09/07/2005
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