Dear Professor,
Very grateful for your help.
Best regards,
Yang
Search found 2 matches
- Tue Sep 21, 2021 9:21 am
- Forum: VTSTTools
- Topic: the parameter setting of SSNEB
- Replies: 2
- Views: 6523
- Thu Sep 16, 2021 9:36 am
- Forum: VTSTTools
- Topic: the parameter setting of SSNEB
- Replies: 2
- Views: 6523
the parameter setting of SSNEB
Dear experts, I am using SSNEB to study the phase transition of AgI. When setting LCLIMB = F, LNEBCELL = T I will get the following error: WARNING: Sub-Space-Matrix is not hermitian in DAV 13 However, when LCLIMB = T, LNEBCELL = T are set, the above error disappears. So when using SSNEB, which of th...