PC GAMESS/Firefly-related discussion club
Learn how to ask questions correctly
It is not possible to calculate frequency dependent polarizability.
Maria
ahsgrey@gmail.com
I write:
$CONTRL UNITS=ANGS COORD=CART RUNTYP=TDHF SCFTYP=RHF ICHARG= 0 MULT= 1 $END
$GUESS GUESS= HUCKEL $END
$BASIS GBASIS=STO NGAUSS=3 $END
$TDHF NFRAQ=2 FREQ=0.0, 0.09 $END
$DATA
Untitled-1
C1
......
$END
The program works normally; any mistakes during work do not arise. However in case of molecule of water only the static polarizability is written in the out file, and in case of lipid molecule polarizability does not register absolutely.
What can be a reason?
Thank you in advance.
Maria.
![[ Previous ]](/ceilidh-icons/ceil_prv.gif)
![[ Next ]](/ceilidh-icons/ceil_nxt.gif)
![[ Index ]](/ceilidh-icons/ceil_ind.gif)
Sat Apr 18 '09 11:50am
![[ Reply ]](/ceilidh-icons/ceil_rep.gif)
![[ Edit ]](/ceilidh-icons/ceil_edt.gif)
![[ Delete ]](/ceilidh-icons/ceil_del.gif)
This message read 1324 times