[Pw_forum] Problems with Polarization calculations

Paolo Giannozzi giannozz at nest.sns.it
Tue Oct 30 09:34:02 CET 2007

On Oct 19, 2007, at 5:01 , Sohrab Ismail-Beigi wrote:

>       from  ylm_q : error # 181312304
>        not programmed for L>

the reason for the funny number is really dumb: the error
message is wrong! the printed value of L was never set.
So nothing is going out-of-bounds as I was saying in my
previous message. There were however other problems
in the Berry's phase calculation (only for the US case,
though). I hope they are fixed now in the CVS version.
The CVS version should work also for l=3 .


Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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