[Pw_forum] error information
Stefano de Gironcoli
degironc at sissa.it
Fri Aug 29 15:42:42 CEST 2003
Zhenyu Li wrote:
>One thing now I noticed is that I have combined the norm conserving
>pseudopotential and ultrasoft pseudopotential, will this causes serious problem?
>
>
NO
your input file contain the line
ibrav= 4, celldm(1) = 5.3668, celldm(3) = 3.831338,
this means: hexagonal bravais lattice with a=5.3668 bohr and
c/a=3.831338 that is c=20.562024 bohr.
is this what you want ?
do not confuse Bohr with Angstrom or c with c/a
stefano
More information about the users
mailing list