CCL:G: .chk to .fchk

[ABHISHEK SHAHI <shahi.abhishek1984(0)gmail.com>]

 Dear All, 

  I am doing AIM calculation using AIMALL and generation
 of .wfn file using "# MP2(full)/aug-cc-pvtz OUTPUT=WFN DENSITY=CURRENT
 POP=NOAB FORCE NOSYMM" route section by G03/G09 both. Now problem occurs
 when i run this .wfn with AIMALL (AIMQB) having an error message "Invalid
 traditional wfn file ! Normalisationhaek fail. Could be due to orientation
 inconsistency."
 I have .chk file of all the system. How can i create .fchk from this .chk file?
 This .fchk file will generate .wfn/.wfx file with right orientation by using
 AIMQB (as mentioned by Todd A. Keith). So my main problem is "How can i
 create .fchk from this .chk file? ". OR any valuable suggetion from your
 side ??
 
Thanking a lot.

Happy New year 2011


With regards;
 ABHISHEK SHAHI
 
Research
 Scholar
Inorganic and Physical Chemistry
 Indian
 Institute Of Science
Bangalore-12 
 E-mail:                 
 shahi[#]ipc.iisc.ernet.in
        
      
                  
 shahi.abhishek1984[#]gmail.com