BigDFT, NEB calculation
Posted: Thu Nov 22, 2012 7:55 am
Hello!
I am using BigDFT code, particularly NEB calculation. I tried to run files that are provided in the src/test/NEB directory of the package, but i can't reach the result that they received. Can somebody help me with input files? or can somebody explain me the full procedure of NEB run in BigDFT, may be i will find something new,that i didn't know!
Thank you all for help , i really appreciate it!!
Olga
I am using BigDFT code, particularly NEB calculation. I tried to run files that are provided in the src/test/NEB directory of the package, but i can't reach the result that they received. Can somebody help me with input files? or can somebody explain me the full procedure of NEB run in BigDFT, may be i will find something new,that i didn't know!
Thank you all for help , i really appreciate it!!
Olga