[Wien] LDA-U error for SrVO3 during orb
Soumen Bag
soumenkrbag at gmail.com
Mon Jun 1 17:07:43 CEST 2015
Dear Wien2k experts,
I want to do LDA-U non magnetic calculation for SrVO3 using *LSDA*
correlation function. I am getting following error during "*ord*"
execution.
=====================
*end-of-file during read*, unit 10, file ~/SRVO/SRVO3.dmat
=====================
i used following *case.inorb* file
=================================
1 1 0 nmod, natorb, ipr
PRATT 1.0 BROYD/PRATT, mixing
2 1 2 iatom nlorb, lorb
0 nsic 0..AFM, 1..SIC, 2..HFM
3.5 0.00 U J (Ry) Note: we recommend to use U_eff = U-J and J=0
==================================
any help will be appreciated.
Thanks,
*Soumen Kumar Bag*
*Physical Science Dept.*
*IISC*
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