On Mon, Aug 27, 2018 at 3:13 PM, Hüsnü Kara < [ mailto:husnuk...@konya.edu.tr |
husnuk...@konya.edu.tr ] > wrote:
.. . *.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
.. . *.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF
.. . *.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
.. . *.rel-pbe-dnl-rrkjus_psl.1.0.0
NTS automatic
1 1 1 1 1 1
CELL_PARAMETERS bohr
.. .
ATOMIC_SPECIES
.. . *.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
.. . *.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF
.. . *.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
.. . *.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF
ATOMIC_POSITIONS crystal
&&&&&&&&
o de Física La Plata
Argentina
2018-08-27 9:22 GMT-03:00 Hüsnü Kara < [ mailto:husnuk...@konya.edu.tr |
husnuk...@konya.edu.tr ] > :
Dear All,
I want to make the scf calculation which is spin-polarized without spin-orbit
contribution.
Wh
Dear All,
I want to make the scf calculation which is spin-polarized without spin-orbit
contribution.
When I try it like following:
calculation = 'scf'
pseudo_dir =
