[Pw_forum] problem using ld1.x

[HABIBI Parwana]

Dear all,

I am trying to build a relativistic USPP in order to check the spin-orbit effect on chromium.

Here is attached my input to create the USPP. However, when I run ld1.x, I get an error:


     Program LD1       v.4.1    starts ...
     Today is 10Sep2010 at 15:50:24

     !!!!!!!!!!!!!!!!!!! WARNING !!!!!!!!!!!!!!!!!!!!!!!
     Message from routine ld1_readin:
     US requires at least two energies per channel 4S
     !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from ld1_setup : error #         1
     all electron wfc corresponding to pseudo-state 4P not found
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...


Could you enlight me on that error?

Thank you,

Parwana HABIBI
Ph.D student,
CEA-Saclay,
DSM/IRAMIS/SPCSI

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