Dear All, I'm not sure if I'm doing it correctly, but I have run Jingyang's virtual_v2.x to generate a FeCo VCA potential from the potentials on the QE website (names below in postscript). I'm trying to perform a SCF run on PWSCF v.6.3 (compiled from the latest version on GIT) to test this potential out, changing the potential file in xx.scf.in to NewPotential.UPF, and the element to Xx (as this is the value used in the potential file itself).
I am getting this error message in return "Error in arraytorealdp. Too few elements found". To try and fix this, I changed ntyp=1 to ntyp=2. This did not solve the problem. Could anyone please help/advise what this issue might be related to? Should I post the contents of my input file here? Many thanks, Zhao P.s.: 1) Co.rel-pz-spn-kjpaw_psl.0.3.1.UPF and Fe.rel-pz-spn-kjpaw_psl.0.2.1.UPF LEONG Zhaoyuan Ph.D M.Eng AMInstP IoM3 Dept. of Materials Science and Engineering, University of Sheffield, Sir Robert Hadfield Building, Mappin St., Sheffield, S1 3JD, UK. Please note that I do not expect replies outside of your office hours.
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