I'm working with Zn phthalocyanine system using DFT B3LYP calculation in Gaussian 09. I get an error message when I open the check point file after optimization while I have no problem opening the output file. The basis set I used was 6-31G. Any suggestions?
step1: go to gausian 09w page
step 2: click utilities
Step3: click Formchk
step 4- a window will open you have to select the check point to be formatted.
step 5: after the c/ scrach/ appears
step: open the formatted chk file in Notepad
check in the content: Number of basic functions
Number of independent functions
if not equal change the number into equal- save it
Step 6: go to again utilities-open formated chk point file- click UnFchk-wait till -C/09/scrach appears.
step7: close all the window and open the chk point as usual you will have no problem
all the best
step1: go to gausian 09w page
step 2: click utilities
Step3: click Formchk
step 4- a window will open you have to select the check point to be formatted.
step 5: after the c/ scrach/ appears
step: open the formatted chk file in Notepad
check in the content: Number of basic functions
Number of independent functions
if not equal change the number into equal- save it
Step 6: go to again utilities-open formated chk point file- click UnFchk-wait till -C/09/scrach appears.
step7: close all the window and open the chk point as usual you will have no problem
all the best
When I open the Check point file in utilities-->Formcheck--> it says bad file opened by FileI0. Also it says Eror termination in NtrErr. How can I fix this problem?
After optimization the g09.out was 0K but the g09.error was 2kb. It says: successfully completed. and at the end it says for stderr output of this job.
Thank you for your help Xavier.
Make a new directory. Transfer all the required input files to this new directory. Run the calculations again.
Hi Nahid Mehraban
Put formcheck at the input and run the calculations again.
- Badges
- Science topic
- Similar topics
- Filing