[Pw_forum] a phcg.x error.
daijiayu at nudt.edu.cn
Thu Sep 13 15:19:51 CEST 2007
>the phcg.x code works only for norm-conserving pseudopotentials
>(and it doesn't calculate Raman coefficients). In addition, it doesn't
>work with double grid (i.e. different FFT grids for Kohn-Sham
>orbitals and for the charge density) because this is useful only for
>ultrasoft pseudopotentials. Most likely you are using a cutoff for
>charge density (ecutrho) that is larger than four times the cutoff
>for orbitals (ecutwfc).
Thank you for your introduction. And i will correct my input file right now.
>And, by the way: I know who you are, but please let everybody
>else know by signing your post with a name and an affiliation
OK, thank you for your reminding me to set the signing of my e-mail box. I forgot
it before. It is the same as that below? :)
National University of Defense Technology, P R China
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