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Alpha-SiO2
response for chemical shifts DQ = 0.001 # often the default is sufficient ICHIBARE = 1 # often the default is sufficient LNMR_SYM_RED = .TRUE. # be on the...

4 KB (456 words) - 13:16, 14 November 2019
Alpha-AlF3
response for chemical shifts DQ = 0.001 # often the default is sufficient ICHIBARE = 1 # often the default is sufficient LNMR_SYM_RED = .TRUE. # be on the...

4 KB (535 words) - 13:15, 14 November 2019