TURBOMOLE is a powerful Quantum Chemistry (QC) program package and one of the fastest and most stable codes available for standard quantum chemical applications (HF, DFT, MP2). Unlike many other programs, the main focus in the development of TURBOMOLE has not been to implement all new methods and fu...
TmoleX 4.5.2 Bug and Bugfix [IMPORTANT] Hello, TmoleX version 4.5.1 (and only 4.5.1) from November 2019 does incorrectly read the Turbomole basis set library of version 7.4.1 for H and He. The first polarization function of most def-*, def2-*, dhf-* and x2c-* basis sets is not correctly writ... Source: Turbomole Forum Webpage: https://ift.tt/2HvCW8q Bengaluru: February 17, 2020 at 12:42AM |
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