[Pw_forum] mistake

[Lorenzo Paulatto]

In data 24 marzo 2011 alle ore 04:02:51, 曹腾飞 <tfcao at theory.issp.ac.cn>  
ha scritto:
>      calculation = 'nscf' ,
>      restart_mode = 'from_scratch' ,

Dear 曹腾飞,
you cannot do a nscf (NON-self-consistent field) calculation from scratch!  
You always have to start with an scf calculation, than you can do an nscf  
analysis starting from the pre-computed ground-state charge density.

kind regards

-- 
Lorenzo Paulatto
post-doc @ IMPMC/UPMC - Université Paris 6
phone: +33 (0)1 44 27 74 89
www:   http://www-int.impmc.upmc.fr/~paulatto/

previously (take note of the change!):
phd student @ SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
www:   http://people.sissa.it/~paulatto/