[Pw_forum] Application of LDA+U in phonon calculations.
aharbil at gmail.com
Thu Sep 24 22:42:32 CEST 2015
Have 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.
Laboratory of Physics and Chemistry of Materials
Faculty of sciences Ben msik, Casablanca
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