fxc: calc type-l3d logic wrong

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problem with the CPKS equations, fxc: calc_type-l3d logic wrong
Hi Edo,
this is the input file for the frequency analysis


Title "bf3_op5f,restart hessian,freq,tri(pentafluorofenil)borano"
restart bf3_op5f

echo
permanent_dir /LUSTRE/home/quimica/cedillo/mariano/frec_bor_aromaticos
scratch_dir /tmp
memory total 1600 Mb

geometry
symmetry c1
C    -1.15670931    -0.01366794    -3.73850807
C -1.15670931 -0.01366794 -2.34347807
C 0.02267024 -0.01366794 -1.57308883
C 1.22368126 -0.02724795 -2.30934788
C 1.26369601 -0.05422488 -3.70350288
C 0.06353971 -0.04087344 -4.42280677
F -2.31152184 0.01151080 -4.43175202
F -2.36685464 0.02889282 -1.73275049
B -0.00018177 0.00031292 -0.00086705
F 2.43793878 -0.09283822 -4.36265086
F 2.41594236 -0.05720791 -1.66377937
F 0.08236071 -0.05437695 -5.76422678
C 1.01534627 0.90199717 0.79285663
C 1.67543570 0.45138372 1.95277542
C 2.58873603 1.23139485 2.66228682
C 2.85486715 2.53570292 2.23075575
C 2.21525351 3.03531024 1.09082621
C 1.32758171 2.21600313 0.39281606
F 1.46690452 -0.80962587 2.40643912
F 3.21410076 0.74703524 3.75281997
F 3.72063296 3.30515914 2.90793550
F 2.46329799 4.29530415 0.68362827
F 0.72474317 2.75531583 -0.69590077
C -1.03813004 -0.88712679 0.77915638
C -1.34139367 -2.20729571 0.39223854
C -2.24826957 -3.01431057 1.07947956
C -2.91816565 -2.49582700 2.19336213
C -2.66209497 -1.18498592 2.61065814
C -1.72878413 -0.41731415 1.91352210
F -0.71090650 -2.76499476 -0.67121151
F -2.48670739 -4.28028585 0.68537170
F -3.80262583 -3.25364035 2.85932060
F -3.31613119 -0.68249684 3.67580016
F -1.53144017 0.85102040 2.35143735
end

basis "ao basis" spherical
B library 6-311++g(3df,3pd)
C library 6-311++g(3df,3pd)
F library 6-311++g(3df,3pd)
end

charge 0

dft
vectors input atomic output bf3_op5f.movecs
xc becke88 1.0 lyp 1.0
mult 1
direct
iterations 120
end

set int:acc_std 1d-14

set cphf:maxiter 200

task dft hessian
task dft freq

ecce_print bf3_op5f_ecce.out

Thanks,
Mariano


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