On Jul 30, 2011, at 15:17 , GAO Zhe wrote: > from davcio : error # 99 > error while reading from file
> Is this phenomenon means disk_io = 'low' cannot be used during > calculation='bands' and 'nscf'? there is actually some problem with disk_io option in non-scf calculations. It will be fixed sooner or later. The entire logic (or lack of it) of this option has to be reviewed. > I am afraid disk_io = 'default' would lower speed when model was huge it will cause more disk I/O and use more disk space, but less RAM space P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222