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Error in RKS with no Exc #19

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fsmoncadaa opened this issue Jun 9, 2023 · 0 comments · Fixed by #26
Closed

Error in RKS with no Exc #19

fsmoncadaa opened this issue Jun 9, 2023 · 0 comments · Fixed by #26
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@fsmoncadaa
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Error:

#3 0x7f5772af7410 in xc_func_info_get_name
at /home/felix/Dropbox/desarrollo/lowdin2/dependencies/libxc/src/func_info.c:24

Input:

GEOMETRY
e-(F) CC-PVDZ 0.00 0.00 -2.18021
e-(F) CC-PVDZ 0.00 0.00 2.18021
e-(H) NAKAI-CC-PVTZ 0.00 0.00 0.00 addParticles=1
F dirac 0.00 0.00 -2.18021
F dirac 0.00 0.00 2.18021
H_1 DZSPDN 0.00 0.00 0.00
END GEOMETRY

TASKS
method = "RKS"
END TASKS

CONTROL
electronExchangeCorrelationFunctional="NONE"
units="BOHRS"
integralStorage="MEMORY"
END CONTROL

@fsmoncadaa fsmoncadaa self-assigned this Jun 9, 2023
@fsmoncadaa fsmoncadaa mentioned this issue Jul 25, 2023
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