[Pw_forum] LDA+U and noncollinear spin

Damian A Scherlis Perel damians at MIT.EDU
Thu May 19 00:30:17 CEST 2005

 Dear all,

 is the LDA+U method operational for noncollinear
 spin calculations in espresso-2.1.3 ?
 I thought it is because the subroutine PWNC/vhpsi.f90 has
 been modified with respect to PW/vhpsi.f90, but
 in my trial runs the code crashes with the message

Atomic wfc used for LDA+U Projector are NOT orthogonalized

 Any help will be greatly appreciated.

 Damian Scherlis
 Department of Materials Science & Engineering
 Massachusetts Institute of Technology
 damians at mit.edu
 617 253 6026

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