Dear all, I am learning to use the atomic code in QE to generate the Norm-Conserving (NC) PP of boron with 1s2 semicore states. I try to use lloc = 0, 1, 2 and lloc = -1 with different values of rcloc to generate NCPP with the cutoff radius of 0.9 and 1.1 a.u., but they all have ghost states. I wonder if it is possible to get some detailed suggestions from you to successfully generate NCPP of boron. Here is the input of ld1.x &input title='B', zed=5, rel=1, iswitch=3, dft='PBE', config='[He] 2s2 2p1' / &inputp pseudotype=2, lloc=1, tm=.true., file_pseudopw='B.pbe-NCPP.UPF', author='Hanfei Li' / 3 1S 1 0 2.00 0.00 0.70 0.70 2S 2 0 2.00 0.00 0.70 0.70 2P 2 1 1.00 0.00 0.90 0.90 Thanks in advance. Best wishes, Hanfei Li
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