[Wannier] problem in tutorial example 17
Zikui Liu
zikuiliu at gmail.com
Fri Aug 22 03:14:06 CEST 2014
Dear all,
I followed the tutorial of example 17 (Iron- Spin-orbit-coupled ...)
stepwise, and met some problem at step 4 of using the pw2wannier90
executable, i.e. no amn/mmn/spn files were created after running the
executable.Instead, I only found the following information:
Program PW2WANNIER v.5.0.2 (svn rev. 9656) starts on 21Aug2014 at
20:12:12
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details
at
http://www.quantum-espresso.org/quote.php
Parallel version (MPI), running on 1 processors
Reading nscf_save data
Info: using nr1, nr2, nr3 values from input
Info: using nr1s, nr2s, nr3s values from input
IMPORTANT: XC functional enforced from input :
Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 0)
EXX-fraction = 0.00
Any further DFT definition will be discarded
Please, verify this is what you really want
WARNING: atomic wfc # 5 for atom type 1 has zero norm
G-vector sticks info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Sum 797 797 303 14171 14171 3319
Spin CASE ( non-collinear )
Wannier mode is: standalone
-----------------
*** Reading nnkp
-----------------
Checking info from wannier.nnkp file
- Real lattice is ok
- Reciprocal lattice is ok
- K-points are ok
projections data-block missing
Thank you in advance for your help.
ZK
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