Releases · QEF/q-e · GitHub
https://github.com/QEF/q-e/releases
PW: Restart from interrupted calculations simplified. As a side effect, NEB restart now works again Various LIBXC glitches, missing check on metaGGA+USPP/PAW not implemented Fermi energy incorrectly written to xml file in 'bands' calculation (did not affect results, just Fermi energy position in band plotting) Also: Fermi energy always written to xml file, also for … PW: Restart from interrupted calculations simplified. As a side effect, NEB restart now works again Various LIBXC glitches, missing check on metaGGA+USPP/PAW not implemented Fermi energy incorrectly written to xml file in 'bands' calculation (did not affect results, just Fermi energy position in band plotting) Also: Fermi energy always written to xml file, also for ins... Phonon code in the noncolinear case with magnetization ("domag" case) now works properly - courtesy Andrea Urru and Andrea Dal Corso.
PW: Restart from interrupted calculations simplified. As a side effect, NEB restart now works again
Various LIBXC glitches, missing check on metaGGA+USPP/PAW not implemented
Fermi energy incorrectly written to xml file in 'bands' calculation (did not affect results, just Fermi energy position in band plotting) Also: Fermi energy always written to xml file, also for …
Fermi energy incorrectly written to xml file in 'bands' calculation (did not affect results, just Fermi energy position in band plotting) Also: Fermi energy always written to xml file, also for ins...
Phonon code in the noncolinear case with magnetization ("domag" case) now works properly - courtesy Andrea Urru and Andrea Dal Corso.
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