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ttadano / alamode

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

states length of Dos #55

Closed bbuenim closed 2 years ago

bbuenim commented 2 years ago

Hi

dos.log shows the states until 3000 cm^-1

bout xxx.dos shows just until about 900 cm^-1

I would like to get dos in the whole range until 3000 cm^-1

Can I set the printed data length of dos?

ttadano commented 2 years ago

Hi,

Please change EMAX. (https://alamode.readthedocs.io/en/latest/anphondir/inputanphon.html#anphon-emin)