QMCPACK / pseudopotentiallibrary

Repository for PseudopotentialLibrary.org website and database
https://pseudopotentiallibrary.org
14 stars 15 forks source link

Adding missing *.ccECP.molpro files for B,C,N,O and 3d TMs #50

Closed aannabe closed 5 years ago

aannabe commented 5 years ago

Some elements were missing Molpro formats. Sc.ccECP.molpro was in incorrect format