Dear Sir,I am trying to calculate DOS, pDOS and phonon densities etc of PbTiO3 -(tetragonal structure)SCF, NSCF and BANDS calculations worked out nicely with tetrahedra,but while doing ph.x calculation i am getting the following error
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine phq_setup (1): phonon + tetrahedra not implemented %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... can i know where i am doing wrong.i am attaching the scf.in and phG.in/out files thanks and regards Chaitanya Varma MAsst ProfessorGITAM UniversityIndia
PbT.phG.in
Description: Binary data
PbT.phG.out
Description: Binary data
PbTiO3.scf.in
Description: Binary data
PbTiO3.scf.out
Description: Binary data
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