[Pw_forum] resp_mat.f90

Matteo Cococcioni matteo at umn.edu
Fri Dec 5 16:56:00 CET 2008


Dear all,

I have recently realized that the code resp_mat.f90, contained in some 
tutorials on LDA+U calculations (e.g.,
from http://vlab.msi.umn.edu/events/lecture.shtml) and used to compute 
U, has some problems and doesn't work as expected.
I have realized this on a hexagonal system but I'm not sure yet if the 
problem manifests itself also with other crystal structures.

Hoping that not many people were using it I apologize for the 
inconvenient. I also hope to provide a fix in short time.

regards,

Matteo
-------------- next part --------------
A non-text attachment was scrubbed...
Name: matteo.vcf
Type: text/x-vcard
Size: 294 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20081205/7359fd01/attachment.vcf>


More information about the users mailing list