[Pw_forum] Error from coset
Sergey Lisenkov
proffess at yandex.ru
Wed Nov 23 16:38:33 CET 2005
Dear Paolo,
>you can supply atomic positions in crystal coordinates.
That is I actually did.
>No warranty
>that the crystal axis we use are the same of vasp, though, but in
>the case of simple orthorhombic, the choice of the axis is obvious
Yes, you are right. The settings of rhombohedral unit cell in VASP are different in PWscf, so I must use ibrav 0 and CELL_PARAMETERS.
Thanks,
Sergey
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