[Pw_forum] Application of LDA+U in phonon calculations.

Youssef aharbil at gmail.com
Fri Sep 25 10:17:58 CEST 2015

Dear Saswata,

Have you checked your structure with xcrysden?
For a double perovskite, your input structure is wrong.
When using ibrav=2 you should process your dimensionless atomic 
coordinates before using them with "ATOMIC_POSITIONS crystal" or simply 
use "ATOMIC_POSITIONS alat" instead as longs as a=b=c.

Youssef Aharbil,
Laboratory of Physics and Chemistry of Materials
Faculty of sciences Ben msik, Casablanca
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