Files added in Dirac, SZ-TZ2P (I-V), ZORA

Names of the standard basis sets have changed to more intuitive names: I→SZ, II→DZ, III→DZP, IV→TZP, and V→TZ2P. Several new atomicdata files were introduced in the Dirac, ZORA/SZ-TZ2P (old names ZORA/I-V), and SZ-TZ2P (old names I-V) directories. Many of these are related to new sizes of the frozen core, some elements were not previously available in that directory. This is especially true for the directory TZ2P (old nameV) which has been extended with the 3d transition metals.

New in Dirac: Ba.4p Cs.4p Fr.5p Ra.5p Rb.3p Sr.3p

New in (ZORA/)DZ (II): Ac.5d Ba.4p Cs.4p Fr.5p Ra.5p Rb.3p Sr.3p

New in (ZORA/)TZP (IV): Ac.5d Ba.4p Cs.4p Fr.5p Ra.5p Rb.3p Sr.3p

New in (ZORA/)TZ2P (V): Co Co.2p Co.3p Cr Cr.2p Cr.3p Cu Cu.2p Cu.3p Fe Fe.2p Fe.3p Mn Mn.2p Mn.3p Ni Ni.2p Ni.3p Ni_d9 Ni_d9.2p Ni_d9.3p Sc Sc.2p Sc.3p Ti Ti.2p Ti.3p V V.2p V.3p Zn Zn.2p Zn.3p