[Pw_forum] Restart problem in NEB calculation
Adrain Zhou
adrainzhou at yahoo.com.cn
Sun Aug 29 12:04:40 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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