[Pw_forum] erro in virtual.x for VCA

yukihiro_okuno at fujifilm.co.jp yukihiro_okuno at fujifilm.co.jp
Thu Jul 5 09:46:59 CEST 2007


Dear PWscf Users.

I'm now tring to use virtual crystal approximation (VCA),
and use virtual.x for making mixing pseudo potential,

But when i use virtual.x with specifing two pseudo potential file,
error had occured like

from virtual :error #  1
grid interpolation is not working yet


I think this is the inconsistent for the grid number of pseudo potential,
but how should i cure the pseudo potential?
( I use the down loaded pseudo potential from PWScf site.)

Sincerely,

Yukihiro Okuno,




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