[Pw_forum] phq_readin and LDA+U

[Paul M. Grant]

To All:

I just tried running ph.x on the scf output of some runs on
antiferromagnetic transition metal oxides and got the following message:

>From phq_readin error # 1
The phonon code with LDA+U is not yet available

I infer from the use of the adverb "yet" that such code is in the works?  I
see anticipatory flags exist phq_readin.f90.

I could really use such a feature and would be quite willing to help create
and test it.

-Paul

Paul M. Grant, PhD
Principal, W2AGZ Technologies
Visiting Scholar, Applied Physics, Stanford University
EPRI Science Fellow (Retired)
IBM Research Staff Member Emeritus
w2agz at pacbell.net
http://www.w2agz.com
 
 


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