[Pw_forum] Problems about magnetic properties
zafar rasheed
zafartariq2003 at yahoo.com
Fri Jun 29 15:38:44 CEST 2012
Dear Pwscf Users
I want to calculate magnetic properties of ZnTe and ZnSe. But this error occurs.
++++++++++++++++++++++++++++++++++++++++++++
from set_hubbard_l : error # 1
pseudopotential not yet inserted
+++++++++++++++++++++++++++++++++++++
error occur. I know that I have to do some changing in /PW/set_hubbard_l.f90 and tabed.f90
by putting
===========================================
! ... other elements
!
CASE( 'H' )
!
hubbard_l = 0
!
CASE( 'C', 'N', 'O', 'S', 'Se', 'Te' )===== here i think that I m doing some thing wrong but what?
!
hubbard_l = 1
!
CASE DEFAULT
!
hubbard_l = -1
!
WRITE( stdout, '(/,"psd = ",A,/)' ) psd
!
=============================================================================
but same error occurs.
Last time I have do this perform some calculation but now i forget this change and I do not write it any where. Would any body help me to correct this file.
Muhammad Zafar
PhD Scholar
Department of Physics
The Islamia University of Bahawalpur,Pakistan
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