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PBEh-3c as unknown functional casues basis set not to be parsed (software gaussian)
Describe the bug When the functional for DFT is not recognized, basis set is not parsed at all? This doesn't happen with a random words instead of functionals. I was only able to reproduce it using this particular functional PBEh-3c. This bug is also currently extended to nwchem too.
To Reproduce ccinput gaussian sp PBEh-3c --nproc 8 --mem 10000mb -f ethanol.xyz -bs "6-31+G(d,p)" -c 0 (with ethanol.xyz taken from the tests directory)
Expected behavior *** Unknown method for this package: 'PBEh-3c' *** *** Unknown method for this package: 'PBEh-3c' ***
%chk=ethanol.chk %nproc=8 %mem=10000MB #p sp PBEh-3c/6-31+G(d,p)
File created by ccinput
0 1 C -1.31970000 -0.64380000 0.00000000 H -0.96310000 -1.65260000 0.00000000 H -0.96310000 -0.13940000 -0.87370000 H -2.38970000 -0.64380000 0.00000000 C -0.80640000 0.08220000 1.25740000 H -1.16150000 1.09160000 1.25640000 H -1.16470000 -0.42110000 2.13110000 O 0.62360000 0.07990000 1.25870000 H 0.94410000 0.53240000 2.04240000
Actual behavior *** Unknown method for this package: 'PBEh-3c' *** *** Unknown method for this package: 'PBEh-3c' *** *** Unknown basis set '' *** %chk=ethanol.chk %nproc=8 %mem=10000MB #p sp PBEh-3c
File created by ccinput
0 1 C -1.31970000 -0.64380000 0.00000000 H -0.96310000 -1.65260000 0.00000000 H -0.96310000 -0.13940000 -0.87370000 H -2.38970000 -0.64380000 0.00000000 C -0.80640000 0.08220000 1.25740000 H -1.16150000 1.09160000 1.25640000 H -1.16470000 -0.42110000 2.13110000 O 0.62360000 0.07990000 1.25870000 H 0.94410000 0.53240000 2.04240000