[Wien] Fwd: scf2forces
Rajneesh Chaurasiya
rajnano2012 at gmail.com
Sat Feb 13 06:42:36 CET 2016
Dear sir,
I installed the phonopy package for phonon calculation. I have used the
hexagonal ZnO structure for phonon calculation so i make a supercell
(2*2*2) and initialize the structure. after initialization it required to
find the force on the each atom so used scf2forces but it showing some
error which is give below.
error in opening DISP
error in opening FORCES
error in opening *.struct
error in opening *.scf
so please give me your suggestion.
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