Search found 1 match
- Thu Oct 14, 2010 6:40 am
- Forum: Ground state
- Topic: Bug when angdeg bigger than 109.47 (rhombohedral)
- Replies: 1
- Views: 2229
Bug when angdeg bigger than 109.47 (rhombohedral)
Hello My code is OK in the version 5.6.5. But when i repeat it in the version 6, some bug appear.The input section about the rhombohedral structure files is here: ndtset 26 kptopt 1 ngkpt 8 8 8 nshiftk 1 shiftk 0.5 0.5 0.5 occopt 5 #cell volume constant# angdeg1 3*108 angdeg2 3*108.08 angdeg3 3*108....