How to open the EXTERNAL FILE in CP2K

bharat bharats... at gmail.com
Tue Aug 7 21:30:44 UTC 2012


Dear experts,

I can not open the external file with the following command in CP2K. I 
added the following command in semi_empirical_int_ana.F file.
****************************************************************************************************
       OPEN(UNIT=6, FILE="test.txt", ACTION="write", STATUS="new")
        write(6,*) "My xab value is: ",xab
        close(6)
*****************************************************************************************************
Can you please help me to open the external file and write the specific 
parameters during job run?

Thank you in advance.

Sincerely,
Bharat Sharma
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