Dear Yingchun: Few days ago, Prof. Marzari provided the compiled "pslib" in this maillist. Any one can download them at: http://theossrv1.epfl.ch/index.php?n=Main.Links For example, in rel-pbe, you can find W.rel-pbe-spn-rrkjus.UPF, the basic information of this file is: author="ADC" date="15Jun2012" comment="" element=" W" pseudo_type="USPP" relativistic="full" is_ultrasoft="T" is_paw="F" is_coulomb="F" has_so="T" has_wfc="F" has_gipaw="F" paw_as_gipaw="F" core_correction="T" functional="PBE"
-- GAO Zhe CMC Lab, Materials Science & Engineering Department, Seoul National University, South Korea At 2012-09-07 17:00:32,"???" <yccheng.nju at gmail.com> wrote: >Dear All, >I need W full relativistic pseudopotential to check the spin-orbital >effect on band structure. >However, I found that there is no such pseudopotential in QE >pseudolist and pslibrary0.2.5. >Would you please kindly help me to solve this problem? >Thank you in advance. >Best, >-- >Y. C. Cheng >Department of Physics >Nanjing University >Nanjing 210093 >P. R. China >Tel: 86-25-83592907 >Email: yccheng.nju at gmail.com >_______________________________________________ >Pw_forum mailing list >Pw_forum at pwscf.org >http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120907/fb0a62db/attachment.htm