[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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