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2024/01/03 13:20 howto:cdft – oschuett +11 B (current)
2023/11/22 11:00 howto:cdft – oschuett -47 KB
2022/05/18 20:24 howto:cdft – Update for new CDFT forces based on Hirshfeld partitioning of the electron density (CP2K version 10 #2111) cahart +204 B
2020/08/21 10:15 howto:cdft – external edit 127.0.0.1 ±0 B
2018/11/02 13:11 howto:cdft – [Structure of input file] nholmber +636 B
2018/11/02 12:51 howto:cdft – [Example: Configuration interaction calculations with CDFT (CDFT-CI): The case of $\mathrm{H}_2^+$] nholmber +32 B
2018/11/02 12:50 howto:cdft – [Selected examples] nholmber +39 B
2018/11/02 12:45 howto:cdft – [Defining CDFT SCF parameters] nholmber ±0 B
2018/11/02 12:45 howto:cdft – [Available constraints] nholmber ±0 B
2018/11/02 12:44 howto:cdft – [Selected examples] nholmber +661 B
2018/11/02 12:28 howto:cdft – [Example: Configuration interaction calculations with CDFT (CDFT-CI): The case of $\mathrm{H}_2^+$] nholmber +3.1 KB
2018/11/01 10:32 howto:cdft – [Available constraints] nholmber +1.2 KB
2018/11/01 09:40 howto:cdft – [Selected examples] nholmber +174 B
2018/11/01 09:38 howto:cdft – [Example: Electronic coupling of Zn cation dimer] nholmber +118 B
2018/11/01 09:34 howto:cdft – [Defining constraints] nholmber -2.3 KB
2018/11/01 09:20 howto:cdft – [Defining CDFT SCF parameters] nholmber +3.3 KB
2018/11/01 08:57 howto:cdft – [CDFT in summary] nholmber +261 B
2018/11/01 08:45 howto:cdft – [Using the CDFT module] nholmber -50 B
2018/07/24 05:38 howto:cdft – Update to CP2K 6.1 nholmber +590 B
2018/01/10 06:39 howto:cdft – [CDFT in summary] nholmber -20 B