Question on Wannier90 get_projections when SOC is taken into account

Running Abinit Link to other codes
1

wannier90_win.txt (124.0 KB)
Dear colleagues,
I was trying to plot bands using wannier90 for GeO2 system with abinit-9.10.1 and wannier90-3.1.0. It was well done without SOC. But there is a problem " param_get_projections: too few projection functions defined" when SOC is taken into account. The parameter ‘num_wann’ is doubled.
Thanks!
zjuer
001.abi (2.8 KB)

2

Hi,
ABINIT + Wannier90 + SOC does not work in version 9.10.1. Could you send me your email address? I will send you a version with the fixes.
Best regards,
HeXu

3

Hi,
Thanks for your reply. My email address is shuaihuiguo@163.com. And I am trying to use abinit-9.10.3. Is it OK when SOC is taken into account?
Thanks!
zjuer

4

Hi,
It is not yet fixed in 9.10.3. I will send you the patched version in the coming week.
Best regards,
HeXu

5

Hi,
Thank you. It is actually right that the 9.10.3 version cannot work properly. I am looking forward to your patched version.
Best regards,
zjuer

6

Hi,
I am trying to generate spinor-values MLWFs using Wannier90 interfaced with ABINIT ver9.10.5, too. It seems it is not included yet. Since in my case I have defined spin in my projection section in Wannier90 input, while the interface ignores the variable “spinors=.true.” and gives me an error that “param_get_projections: spin is defined but spinors=.false.”.
May I ask you to send your patched version to me too? My Email is sh.sharifi11@gmail.com.
Thank you in advance.

Best regards,
Shima