[Pw_forum] Phonon frequency of Body centred cubic strucure

mayank gupta mayankaditya at gmail.com
Mon May 9 11:44:44 CEST 2011


Thanks Dr Merlin for your guidance. one more thing i want to ask you
that How much I should increase FFT mesh, default value is (120 120
120) and in output file I am getting the warning like
  negative rho (up, down):  0.691E+00 0.000E+00


 I have chosen 10 times ecutrho that of ecut.




Thanks

Mayank Gupta
BARC



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