ABINIT Discussion Forums

Hello everybody. recently i was learning the turorial aboout abinit+wannier90. Today i've read the wannier90 input tw90_4o_DS3_w90.win of the tutorial tw90_4. And i found these words:



the following of these words are "begin unit_cell_cart"and "begin kpoints" blocks.

my question is that, at the first run of abinit + wannier, these blocks are needed. But there are saying, these blocks can be copied from the wannier90.nnkp file output after the initial abinit wannier run. it seems to be a paradox.

how do you think about it?

looking forward your reply!

localspin wrote:
my question is that, at the first run of abinit + wannier, these blocks are needed. But there are saying, these blocks can be copied from the wannier90.nnkp file output after the initial abinit wannier run. it seems to be a paradox.

These blocks are not necessary for the abinit + wannier run, just if you restart a stand-alone wannier run afterwards. These blocks are read from the abinit input file.

loefaas wrote:

localspin wrote:
my question is that, at the first run of abinit + wannier, these blocks are needed. But there are saying, these blocks can be copied from the wannier90.nnkp file output after the initial abinit wannier run. it seems to be a paradox.

These blocks are not necessary for the abinit + wannier run, just if you restart a stand-alone wannier run afterwards. These blocks are read from the abinit input file.

Thanks a lot!