ABINIT Discussion Forums

Hi, Thank you very much for your reply. Again, I got one error like. Information is missing in the DDB. The dynamical matrix number 4 cannot be built, since no block with wavevector 5.000000E-01 5.000000E-01 0.000000E+00 has been found. Action: add the required blok in the DDB, or modify your input ...

Dear all, I am using abinit 8.6.3 and I am following the tutorial on electron-phonon coupling step by step. I obtained the gkk files, ddb files and merged them using the mrggkk, mrgddb utility as described in the tutorial. Next I am moving to the ANADDB calculation of electron-phonon (step4 in the t...

Dear Abinit users, I got a problem, while calculating the ElPhonTransport properties of Mono layer of MOS2 (Molybdenum DI sulphide). --- !ERROR src_file: read_gkk.F90 src_line: 269 mpi_rank: 0 message: | found too many qpoints in GKK file wrt anaddb input nqpt_anaddb nqpt_gkk = 6 7 ... here, i uploa...