Hi, I am beginner of Turbomole.

could you please tell me how to calculate jobbsse with rimp2 ?

To calculate BSSE by countepoise with rimp2 on Turbomole,

Should I calculate (1) dscf , then (2) rimp2 ?

I calculated directly rimp2 with bsse. Because jobbsse has scf, not dscf. ( jobbsse -h, then found scf. not dscf.)

What I have done was as follows;

define, a coord, desy, ired, frag on, b all def2-TZVP, eht.

Then, at the command line,

jobbsse -setup

. Then ghost atoms were appeared.

So, at the jobscript,

jobbsse -ri -level -mp2 > jobex.out

.

Then the error was occurred.

---

use the command 'actual -r' to get rid of that

========================

internal module stack:

------------------------

bsseenergy

turbo_setup

========================

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Could you please tell me how to solve this problem ?

Thank you very much in advance.