[Pw_forum] scf for BaTiO3

[WANG Yuan Xu]

Dear all,
        When I calculate BaTiO3.
I use the Ba pseudo file from PWscf web site.  And O an Ti was Ti.vdb.UPF and O.vdb.UPF

I get the error information "from readpp # 2  inconsistent DFT read"

The three atoms must all same GGA or LDA? If it is true. The website only give Ba GGA no Ba LDA. How should I do.
	

Best


WANG Yuan Xu
National Institute for Materials Science
Computational Materials Science Center
Namiki 1-1, Tsukuba 305-0044, Japan
Phone +81-29-8513354-8092; Fax +81-29-8541207
wang.yuanxu at nims.go.jp
2004-09-30