External optional components of Abinit (BigDFT, Wannier90...) and codes using/providing data from/to Abinit (AtomPAW, ONCVPSP, EXC, DP, Yambo...)
Moderators: ebousquet, bxu
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localspin
- Posts: 7
- Joined: Mon Jan 10, 2011 9:54 am
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by localspin » Wed Mar 09, 2011 4:03 am
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:
Code: Select all
!everything below can be copied from the wannier90.nnkp file output
! after the initial abinit wannier run
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!
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loefaas
- Posts: 11
- Joined: Thu Jul 01, 2010 1:12 pm
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by loefaas » Fri Mar 18, 2011 2:20 pm
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.
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localspin
- Posts: 7
- Joined: Mon Jan 10, 2011 9:54 am
Post
by localspin » Thu Mar 31, 2011 9:02 am
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!