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<P><FONT SIZE=2>Dear all,<BR>
<BR>
I am trying to build a relativistic USPP in order to check the spin-orbit effect on chromium.<BR>
<BR>
Here is attached my input to create the USPP. However, when I run ld1.x, I get an error:<BR>
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<BR>
Program LD1 v.4.1 starts ...<BR>
Today is 10Sep2010 at 15:50:24<BR>
<BR>
!!!!!!!!!!!!!!!!!!! WARNING !!!!!!!!!!!!!!!!!!!!!!!<BR>
Message from routine ld1_readin:<BR>
US requires at least two energies per channel 4S<BR>
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!<BR>
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR>
from ld1_setup : error # 1<BR>
all electron wfc corresponding to pseudo-state 4P not found<BR>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR>
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stopping ...<BR>
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<BR>
Could you enlight me on that error?<BR>
<BR>
Thank you,<BR>
<BR>
Parwana HABIBI<BR>
Ph.D student,<BR>
CEA-Saclay,<BR>
DSM/IRAMIS/SPCSI<BR>
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