ABINIT Discussion Forums

I experience a regular crash at the beginning of a positronic ground state calculation of the perovskite LaAlO3. I am currently using the JTH LDA PAW input files together with the attached Input file. May this problem be related to the atomic input files and are there any restriction on which type o...

Hello, Im a Master student at the Technichal University of Munich working on CDBS measurements and their simulation. My main topic is on a new and improved data analysis of two dimensional CDBB spectra alongside with DBS and CDBS measurements on oxide heterostructures. In order to verify my data ana...