Dear Ahmad You can either generate the US rrkj pseudopotential with ld1.x and the pslibrary input http://www.qe-forge.org/gf/project/pslibrary or generate yourself and test the pseudopotential with the Vanderbilt's code (you may start by modifying the PBE pseudopotential which comes with the library) http://www.physics.rutgers.edu/~dhv/uspp/ HTH Giuseppe
On Thursday, May 28, 2015 12:12:36 PM Ahmad.Ziaee wrote: > Hi All, > I want the ultrasoft Vanderbilt pseudopotential for Ni atom with PW91 XC > functional. I searched the list on the Quantum espresso but it is not > available there. How can I get it? Also, I searched the Vanderbilt > pseudopotential website but there was not available there as well. Can anyone > provide it for me or how can I set it up myself? > > Best regards and thanks, > Ahmad > Postgraduate Researcher > Materials and Surface Science Institute(MSSI) > University of Limerick > Limerick > Ireland > [ATT00001] ******************************************************** - Article premier - Les hommes naissent et demeurent libres et ègaux en droits. Les distinctions sociales ne peuvent être fondèes que sur l'utilitè commune - Article 2 - Le but de toute association politique est la conservation des droits naturels et imprescriptibles de l'homme. Ces droits sont la libertè, la propriètè, la sùretè et la rèsistance à l'oppression. ******************************************************** Giuseppe Mattioli CNR - ISTITUTO DI STRUTTURA DELLA MATERIA v. Salaria Km 29,300 - C.P. 10 I 00015 - Monterotondo Stazione (RM), Italy Tel + 39 06 90672836 - Fax +39 06 90672316 E-mail: <[email protected]> http://www.ism.cnr.it/english/staff/mattiolig ResearcherID: F-6308-2012 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
