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- Sub-Space-Matrix is not hermitian in surface slab calculation
We already optimized the corresponding bulk cell without problems, but if we try to optimize the corresponding surface slab (five layers deep), the calculation fails before calculating the first SCF cycle step with the message: "WARNING: Sub-Space-Matrix is not hermitian in DAV", finally, the calculation stops with "ERROR FEXCP: supplied
- getting WARNING: Sub-Space-Matrix is not hermitian in DAV in relax
I am trying to relax my system and I am getting this warning "WARNING: Sub-Space-Matrix is not hermitian in DAV" I have tried changing ALGO (48, 38, Normal, Fast, VeryFast), and also I have tried changing LSCALAPACK to FALSE but I am getting the same warning
- Message of Sub-Space-Matrix is not hermitian
It's the KPOINTS problem or possibly the number of the cores What you can do is go finer KPOINT or decrease the number of cores
- WARING:Sub-Space-Matrix is not hermitian - My Community
I solved this problem by reducing AMIX to 0 03 I also switched to Normal, and used the default for NSIM I'm not sure whether the last two steps were necessary A larger AMIX may also work, but I definitely had to decrease it from the default of 0 4 I have not tried the serial calculation
- Sub-Space-Matrix is not hermitian in DAV - My Community
Even though this problem has been discussed before in the VASP forum, I would like to discuss this again to get some answers from experienced vasp users LWAVE = FALSE LCHARG = FALSE ADDGRID= FALSE LREAL = FALSE 1 The structure was generated using the ATAT code
- Message of Sub-Space-Matrix is not hermitian - My Community - VASP Wiki
During the electronic structure relaxation, it always display lots of warning messages “WARNING: Sub-Space-Matrix is not hermitian in DAV 4†and eventually the calculation fails with such error message “Error EDDDAV: Call to ZHEGV failed
- WARNING: Sub-Space-Matrix is not hermitian in DAV in VASP 5. 3
I am a new VASP user and have installed VASP 5 3 Currently, while trying to optimize YIG system (containing 12 Y, 20 Fe, 48 O atoms), in the very first step of iteration, I am getting the warning "Sub-Space-Matrix is not hermitian in DAV"
- how to handle the problem about Sub-Space-Matrix is not hermitian in DAV
eigenvectors of a complex generalized Hermitian definite eigenproblem If the problem occurs during relaxation of the ions, the most probable reason for the error is that the system has relaxed to a pathologic geometry Please have a look at the ionic relaxation history To avoid too large steps from one ionic configuration to the next, decrease
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