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quantum-espresso/PW/examples/example11
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Paolo Giannozzi 6148f5e5c5 Obscure line present in all examples replaced with a much simpler one. 
See https://stackoverflow.com/questions/50148175/what-does-cd-echo-0-sed-s-1-do-in-bash-script

Note: some trailing blanks have been removed as well by the script I used.
Use "git diff -b" to see only the true changes.
 		2022-09-03 11:53:33 +02:00
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reference Updated refences for PW examples and smearing option changed from 2017-02-07 12:35:50 +00:00
README example31 moved to PW/examples/example10 2012-01-09 14:24:01 +00:00
run_example Obscure line present in all examples replaced with a much simpler one. 2022-09-03 11:53:33 +02:00

README 

This example tests pw.x and ph.x for the noncollinear/spin-orbit case and PAW.

The calculation proceeds as follows:

1) make a self-consistent calculation for bcc-Fe
   (input=Fe.scf_pbe.in, output=Fe.scf_pbe.out).

2) make a band calculation for bcc-Fe
   (input=Fe.band_pbe.in, output=Fe.band_pbe.out).