Firefly and PC GAMESS-related discussion club


 
Learn how to ask questions correctly  
 
 
We are NATO-free zone
 



Firefly can not calculate PCM using semiempirical method

atthar
attharquantum@gmail.com


Hello,

I got error when I calculate PCM using semiempirical method (use PM3 as GBASIS). Here is the error of calculation :

....

*** ERROR *** PCM COMPUTATIONS ARE NOT POSSIBLE FOR
     SCFTYP=GVB RUNS,
     RHF GUGA/ALDET CI RUNS,
     SEMI-EMPIRICAL RUNS, OR
     ANALYTIC HESSIAN RUNS.
....

Is it true that Firefly can not calculate PCM using semiempirical method? Because I have read the manual and searched in search engine about PCM calculation using semiempirical method, but there are no detail explanation about it. Can you help me to fix this problem? thank you very much..

best regards,
atthar


[ Previous ] [ Next ] [ Index ]           Thu May 7 '15 2:58pm
[ Reply ] [ Edit ] [ Delete ]           This message read 371 times