[Wien] Collection of forces - solution to problem.

[Christopher Homes]

Hello All - In a previous post, I commented on some problems in
running the "analyse_phonon_lapw" command in that there were format
problems in the case.dat and case.dsy files.  This problem could be
traced to the construction of the case.finM file.  I edited the
analyse_phonon_lapw script and changed the line

grep :FGL case_${i}$fn.scf | tail -$nat | cut -c35-91 >> ../case.finM

to

grep :FGL case_${i}$fn.scf | tail -$nat | cut -c30-91 >> ../case.finM

Problem solved - now all the files are correct.
 
  Regards,
           Chris Homes.

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Christopher Homes, Rm. 1-17            Email: homes at bnl.gov
Department of Physics - Bldg. 510B     Tel: (631) 344-7579 (Office)
Brookhaven National Laboratory              (631) 344-3537 (Lab)
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P.O. Box 5000                          FAX: (631) 344-2739
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Physics Infrared - http://infrared.phy.bnl.gov
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Personal - http://infrared.phy.bnl.gov/homes.htm
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