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- Mon Dec 20, 2010 10:46 am
- Forum: Ground state
- Topic: DOS error : simpson_int
- Replies: 0
- Views: 2103
DOS error : simpson_int
Hi abinit users, i have a dos calculation input as in below ndtset 3 jdtset 1 2 3 #definition of the SPCGRP 198 unit-cell of CrSi acell 8.5364985239E+00 8.5364985239E+00 8.5364985239E+00 Bohr spgroup 198 angdeg 3*90 brvltt -1 chkprim 0 natrd 2 ntypat 2 znucl 24 14 natom 8 nband 30 typat 1 2 xred 1.3...