[Pw_forum] Optical phonon convergence at Gamma-point

潘登 panda.deng.pan at gmail.com
Sat May 23 21:22:18 CEST 2009


Dear Sophia,

          You didn't mention any value about ecutrho.I surpose that you have
the default value (4 * ecutwfc ) which is enough for a good calculation. I
can get more imformation from the directory '/Doc/input_pw' contained in QE
file.The suggested value is about 8-10 times as the ecutwfc.

         Hope this might help!

       Cheers.
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