BASISSET mTZVP not allowed
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Hi,
I'm trying to optimize a crystal with B97-3c with the following input:Glycine beta form CRYSTAL 0 0 0 4 5.0932 6.272 5.3852 113.19 10 {N x y z}*10 OPTGEOM FULLOPTG ENDOPT BASISSET mTZVP DFT B973C ENDDFT SHRINK 0 4 5 4 5 ENDSCFHowever, it failed with message "ERROR **** CRYSTA **** KEYWORD MTZVP NOT ALLOWED".
Although, it runs well when I remove "OPTGEOM \ FULLOPTG \ ENDOPT".It seems that 'BASISSET' was not parsed properly.
Do I do anything wrong? Or has anyone seen this issue before? -
I'm wondering if it could be related to something wrong I did in building? Because at mean time I also have parallel running issue. Although I hope to solve this input file parse issue first.