[Pw_forum] On the UPF file format and pseudo-wave function
Lorenzo Paulatto
paulatto at sissa.it
Thu Nov 20 14:26:06 CET 2008
yukihiro_okuno at fujifilm.co.jp ha scritto:
> chi means pseudo-wave function ?
>
Yes, they are pseudo atomic wavefunctions. They are always saved for PAW
datasets, but they can be always saved by setting the lsave_wfc switch
in the ld1 input file.
This also remind me that should fix the documentation and publish it.
.regards
--
Lorenzo Paulatto
SISSA & DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www: http://people.sissa.it/~paulatto/
Due to budget cuts approved by Italian Minister of Finance and Italian
Minister "for" Education, University and Research this may be the last
email you receive from me.
Please send any future correspondence, possibly via pigeon, to
mr. Lorenzo Paulatto
under Roiano Railway Bridge - Pillar 2
34136, Trieste
Donations in food, coins, booze and processor time are warmly welcome.
More information about the Pw_forum
mailing list