#!/bin/sh

# Analytical frequencies of HI using the scalar ZORA relativistic approximation.
# A good NumericalQuality is used.


$ADFBIN/adf <<eor
TITLE HI scalar, ZORA,

ATOMS
 I 0.0 0.0 0.0
 H 0.0 0.0 1.6090
END

XC
 LDA Xonly
END

RELATIVISTIC scalar ZORA

symmetry NOSYM

Basis
 Type DZ
 Core None
END

NumericalQuality good

AnalyticalFreq
  print computation numintpar
End

eor

mv TAPE21 HI.t21