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neutrons / multiphonon

multiphonon (getDOS)
MIT License
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restore some test cases from mkresch branch #11

Open yxqd opened 8 years ago

yxqd commented 8 years ago

The data are in pkl format. Convert them to hdf5 histogram files.

yxqd commented 8 years ago

Doug suggested using Al data as the next example. That is a good idea since it is almost pure coherent.

yxqd commented 8 years ago

Seems working for Al now.

Iteration of DOS: al-dos-iteration

Last iteration S(E): al-se-lastiteration

Last iteration S(Q,E): al-sqe-lastiteration

yxqd commented 8 years ago

Here are updated results for Vanadium data:

Iteration of DOS: v-dos-iteration

Last iteration S(E): v-se-lastiteration

Last iteration S(Q,E): v-sqe-lastiteration

yxqd commented 8 years ago

What happen if a large, incorrect C_ms was used? The following is the result for C_ms=1. for the V data. Large residuals are observed. v-se-lastiteration-cms1 0

The DOS iteration: v-dos-iteration-cms1 0