UT theoretical chemistry code forum

Dear Professor,

Very grateful for your help.

Best regards,
Yang

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...