Skip to content
  • Home
  • Recent
Collapse
Brand Logo
CRYSTAL23
Latest v1.0.1
Tutorials Try the Demo Get a License
Tutorials Try the Demo Get a License Instagram
20gfritzeundefined

20gfritze

@20gfritze
About
Posts
1
Topics
1
Groups
0
Followers
0
Following
0

Posts

Recent Best Controversial

  • HELP WITH COMPOSITE METHODS
    20gfritzeundefined 20gfritze

    Hello,

    I have been attempting to incorporate composite methods such as HFSOL3C into my computations, however, it appears that CRYSTAL does not recognize the keyword. This appears the same for any composite method, but not if I put in something like STO-3G.

    After going back to the basic MgO test case, I still receive an error that states: "SELECTED BASIS SET IS UNAVAILABLE OR WRONG KEYWORD"

    I have attached the output file.

    Any help would be greatly appreciated,

    George
    mgo (1).out

  • Login

  • Don't have an account? Register

  • Login or register to search.
  • First post
    Last post
0
  • Home
  • Recent