Hello,
I want to do calculation for exciton analysis in real space. For that, when I start calculation using"storeexcitons", the code will stop. However without using storeexcitons variable I am able to generate EXCITON, EPSILON, etc folder that means absorption related folders.
As I am not able to upload files here. The input.xml file is same as tutorial. The code will stop in INFOXS.OUT file here given below.
Info(bselauncher): Setting up and diagonalizing BSE Hamiltonian.
Info(bselauncher): Using momentum transfer vectors from list : 1 to 1
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Info(bse):bsegap (eV): 15.4682179373397979
Info(bse): Assembling BSE matrix
RR/RA blocks of global BSE-Hamiltonian:
Size of the Hamiltonian: 540
Number of k-points: 27
Distributing matrix to 1 processes
Local matrix shape 540 x 540
Info(bse): max local RAM needed for BSE matrices ~ 0.004345 GB
Info(setup_bse_block_dist): Singlet spin state
Info(setup_bse_block_dist): Setting up RR part of hamiltonian
All processes build their local matrix
Info(bse): Diagonalizing RR Hamiltonian (TDA)
Info(bse): Invoking Lapack routine ZHEEVR
540 eigen solutions found in the interval:
i1= 1 i2= 540
Info(bse): Writing excition eigenvectors for index range= 1 5
Info(bse): Writing exciton eigenvectors to file.
This is problem in exciting neon version. However, it is running properly in exciting.oxygen version.