Which temperature effect do you want to consider?
Indeed, the effect of temperature on the atomic structure is usually the
more important one for EFGs...
Thus one way to consider the temperature effect on these properties is
simply to consider different atomic structures refined for different
temperatures (volume expansion...).
Best Regards
Xavier
Le 7/17/2013 9:44 AM, abdel Mar.. a écrit :
Dear Wien2k users
is there a way to include the temperature effetc in the calculation of
the Mossbauer parameters ( EFGs, RTO).
may be with in case.in2?: with switching to TEMP with a fixed value?
TEMP 0000 (GAUSS, ROOT, TEMP, TETRA, ALL eval)
Best regards
A
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