Dear experts and developers I have an issue with ONCV pseudopotentials (taken from http://www.quantum-simulation.org/potentials/sg15_oncv/) and projwfc.x.
I used qe-6.3, q-e-develop (updated 29/12/2018) versions to test this issue. I used the example in PP/examples/ForceTheorem_example as simple test. Following the example, I ran pw.x < sr.in > sr.out_sg15 with the scalar-relativistic pseudopotential. Then I ran pw.x < par.in > par.out_sg15 with the full relativistic pseudo. At the end I ran projwfc.x < proj_par.in > proj_par.out but it resturns: ** On entry to ZGEMM parameter number 13 had an illegal value The input and output files together with the pseudos are shared in the following link. I hope you can help me to solve this issue. Thank you for your work, Kind Regards Guido -- *************************************** Guido Menichetti Post-Doc researcher in Solid State Physics Istituto Italiano di Tecnologia Graphene Labs: Theory and technology of 2D materials Address: Via Morego, 30, 16163 Genova Email: [email protected] [email protected] [email protected] ****************************************
projwfcx_ONCV.tar.gz
Description: application/gzip
_______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
