[Pw_forum] Definition of PsP in LDA+U

Sergey Lisenkov proffess at yandex.ru
Thu Aug 18 23:58:46 CEST 2005


Dear Pwscf users and authors,

 I look at input file of example 25 of espresso distribution and see:

.....
ATOMIC_SPECIES
 O1   1.  O.LDA.US.RRKJ3.UPF
 Fe1  1.  Fe.pz-nd-rrkjus.UPF
 Fe2  1.  Fe.pz-nd-rrkjus.UPF
........

Why all masses of PsP are equal to 1? Does it affect to calculations?

 Thanks, 
   Sergey



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