[molpro-user] Vxc: exchange-correlation potential matrix

[Łukasz Rajchel]

Dear Molpro Users,

I would like to save the exchange-correlation potential matrix in AO basis
to Molpro record. According to Molpro Manual, the option for that is simply
POTENTIAL,rec.fil
(see http://www.molpro.net/info/current//doc/manual/node178.html#14127)

However, this doesn't seem to work: after running RKS calculations, say

------
{rks,PBEX; wf,2,1,0; potential,2000.2}
------

I get the output saying

------
Unknown directive POTENTIAL for command RKS-SCF

  1 input errors found

? Error
? Input errors!
? The problem occurs in check_input
------

Is there any way to save the Vxc matrix to a record?

Thanks in advance for your answers,

best regards,

Łukasz Rajchel
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