[Q-e-developers] [SUSPECT ATTACHMENT REMOVED] Changes in pwo2xsf.sh
Ikutaro Hamada
HAMADA.Ikutaro at nims.go.jp
Wed Feb 22 14:26:59 CET 2017
Dear developers,
There was a problem in using pwo2xsf.sh when “negative rho (up, down)” appears before printing out forces acting on atoms.
The script stops because of the "error reading forces."
I tried to fix this issue. See attached (original and new files and patch).
Please correct it more elegantly as my revision does not look smart.
Best,
Ikutaro
More information about the developers
mailing list