Dear all I Want to calculate structrul properties of HgTe with espresso .For thise I convert pseudopotentials 80-Hg-GGA.fhi and 52-Te-GGA .fhi from abinit with upftools. I use 6s26p05d105f0 valance orbitals for Hg. But in some pseudopotentials for Hg in espresso these orbitals are 6s26p0.55d9.55f0.
Which one is correct? could anyone help me with this? I attached the converted file to this email. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130626/be211ac1/attachment.html -------------- next part -------------- A non-text attachment was scrubbed... Name: 80-Hg.GGA.fhi.UPF~ Type: application/octet-stream Size: 128257 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20130626/be211ac1/attachment.obj
