Molcas Forum

wangjun

Member

Registered: 2015-12-09

Posts: 26

[SOLVED] PCM error, 'SLOVENT is not a keyword!

Hi, all. I am testing the calculation using PCM model in MOLCAS.
The input is

&GATEWAY
   coord=CH4.xyz
   Basis=sto-3g
   group=c1
&SEWARD
   RF-Input
     PCM-Model
     slovent=water
     End of RF-Input
&RASSCF
   Nactel=8 0 0
   Inactive=1
   Ras2=8

the error is                           

      MOLCAS executing module SEWARD with 15000 MB of memory
                     

                         at 14:26:42 Tue Mar  8 2016
()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()


 SLOVENT is not a keyword!
 ###############################################################################
 ###############################################################################
 ###                                                                         ###
 ###                                                                         ###
 ###    InpRct: Error in keyword.                                            ###
 ###                                                                         ###
 ###                                                                         ###
 ###############################################################################
 ###############################################################################
--- Stop Module:  seward at Tue Mar  8 14:26:42 2016 /rc= _INPUT_ERROR_ ---

    User input error

    ...................................................................................................
    ...................................................................................................
    .....Sorry to interrupt the festivities, Dave, but I think we've got a problem.....................
    .....It can only be attributable to human error....................................................
    ...................................................................................................

Non-zero return code - check program input/output
--- Stop Module:  auto at Tue Mar  8 14:26:42 2016 /rc= _INPUT_ERROR_ ---

Could you tell me how to solve this problem?

Thanks a lot in advance!

Ignacio

Administrator

From: Uppsala

Registered: 2015-11-03

Posts: 1,012

Re: [SOLVED] PCM error, 'SLOVENT is not a keyword!

Solvent, not Slovent

You may need to put the RF-Input block in &GATEWAY, not in &SEWARD.

wangjun

Member

Registered: 2015-12-09

Posts: 26

Re: [SOLVED] PCM error, 'SLOVENT is not a keyword!

thanks a lot