CALCULATIONS USING OPENMOLCAS


1) To use openmolcas with the cost codes: 
export MOLCAS_INPORB_VERSION=1.1 
to obtain molecular orbitals in the format used in the cost codes

2) use molcostopenmolcas instead of molcost

3) use noscfopenmolcas instead of noscf (optimization of the orbitals at a CI level, keeping the locality of the orbitals if we start from localized orbitals)