Dear Liu, ? I have downloaded the .fhi file from abinit pseudopotential site, and i used the command given by you as follows;
?? ./fhi2upf.x /home/adetunji/Desktop/30-Zn.LDA.fhi after the command, here is the result of the process. read_fhi: assuming abinit format Pseudopotential without NLCC successfully read Wavefunction # 1: label, occupancy > please, what is the next step. Adetunji Bamidele Ibrahim Department of physics,University of Agriculture, Abeokuta, Ogun State,Nigeria. --- On Sat, 7/9/11, gbliu <goodluck_1982 at 163.com> wrote: From: gbliu <[email protected]> Subject: Re: [Pw_forum] I need norm conserving pseudopotetial for Zinc that can work with pwscf To: "PWSCF Forum" <pw_forum at pwscf.org> Date: Saturday, July 9, 2011, 6:32 AM You can use pp file of ABINIT, then use upftools/fhi2upf.x to covert the .fhi file to .upf file. Best wishes, Liu Gui-Bin Dept. Physics, HKU ? 2011/7/9 6:08, bamidele ibrahim ??: Dear all, ? I needed to run epsilo.x to get optical properties, but the pseudopotentials available on the QE page for Zinc has no norm conserving pseudopotential. So, i will appreciate it if an assistance can come from anybody from the forum. Also, if there is a way to make epsilo.x recognised the USPP. Kindly put me through. Thanks ? Adetunji Bamidele Ibrahim Department of physics,University of Agriculture, Abeokuta, Ogun State,Nigeria. _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -----Inline Attachment Follows----- _______________________________________________ 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/20110710/8d5ad133/attachment.htm
