Contains files associated with the following questions at MMSE:
/1715: Interfacing MRCC with CFOUR for dynamic polarizability/1780: How to automatically plot atomic structures with magnetic moments?/1903: Is it possible to do TD-DFT/6-31G (d,p) calculations on a laptop?/2415: How to get potential energy surface from GAMESS?/3794: Which software is good with generally contracted basis sets?/4026: Smearing and charge balance for tungsten with interstitial oxygen in Quantum ESPRESSO/4701: Pressure applied DFT calculations in Quantum ESPRESSO/4957: Can I run an nscf calculation in Quantum ESPRESSO with disk_io='none'?/5040: Script to generate input files for benchmark purpose/6862: Error in nscf calculation while considering Spin Orbit Coupling in Quantum ESPRESSO/9511: How to merge two files (molecule structure and file property) into one?/9743: Restarting an FCI calculation in PySCF/10048: Interstitial charge from a cube file: Need help in python coding/10277: Why does CCSD work, but not CCSD(T), after reading an FCIDUMP in PySCF?. QC Bugs: Issue022./10402: Gaussian calculation terminates before job completion?/10453: Why is my CISD restart failing in PySCF?. QC Bugs: Issue023
Also files associated with the following questions on Meta MMSE:
Also files associated with proposals for the MMSE Logo: