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ttadano / alamode

Ab initio simulator for thermal transport and lattice anharmonicity
http://sourceforge.net/projects/alamode
MIT License
137 stars 54 forks source link

Missing parameters in tutorial for displace.py #43

Closed tawe141 closed 3 years ago

tawe141 commented 3 years ago

In the tutorial here: https://alamode.readthedocs.io/en/latest/tutorial.html

python displace.py calls should have -pf prior to giving the name of the pattern file. For instance,

$ python displace.py --VASP=POSCAR.orig --mag=0.01 -pf si222.pattern_HARMONIC

ttadano commented 3 years ago

Thank you for spotting the errors. They are now fixed.