[Pw_forum] magnetization.x.xml vs magnetization.x.dat

Małgorzata Wawrzyniak-Adamczewska mwaw at amu.edu.pl
Wed Jan 27 09:33:13 CET 2016


 

Dear Quantum Espresso Users and Developers, 

I faced the following problem trying to calculate the band structure for
my system: 

I did my scf calculations including SO with non-zero starting
magnetization. 

Then I tried to calculate the band structure, and the program crashed
due to the lack of magnetization.x.xml file. 

The problem is that the only file I can find is the magnetization.x.dat.


How can I obtain the xml files for magnetization? Is it posible from the
dat file? 

I use QE 5.3.0 version. 

Thanks in advance, 

Malgorzata Wawrzyniak 

UAM Poznan 
 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160127/6bae7cb6/attachment.html>


More information about the users mailing list