[Pw_forum] NEB calculation!

Adrain Zhou adrainzhou at yahoo.com.cn
Sun Aug 29 12:02:32 CEST 2004


Dear all,
 
I am runing neb calculation.  Although I have set 
"startingpot='file', startingwfc='file', "  in the input file.
During the scf calculation of each image, NEB image configuration can be restarted. But it can't restart the potential and wavfunction files.   
Cannot read wfc file: not found
Cannot read pot/rho file: not found

I guess the code restart the pot and wav files from outdir.  But the wavfunction and pot file are located in the directory for each image.  Am I right? Has anyone met such a problem? How to solve it? Any suggestion and comments are highly appreciated.
 
Regards,
Adrain
 



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