[Q-e-developers] nscf + restart_mode can cause davcio error
Lorenzo Paulatto
lorenzo.paulatto at impmc.upmc.fr
Wed Sep 14 23:12:54 CEST 2011
I've just had to fight with a bug where doing an nscf calculation with
restart_mode='restart' cause the initial wfc to be read from file, which
in turn causes a davcio error. I don't really have the time to fix this at
the moment (is a restructuring of I/O coming soon in he end?) , so I've
opened a bug report here
<http://qe-forge.org/tracker/index.php?group_id=10&atid=133>
cheers
--
Lorenzo Paulatto IdR @ IMPMC/UPMC CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www: http://www-int.impmc.upmc.fr/~paulatto/
mail: 23-24/4é14 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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