Profile Topics Started Replies Created Engagements Favorites Search topics: Topics Engaged In Viewing 15 topics - 1 through 15 (of 22 total) 1 2 → Topic Voices Posts Last Post task1 and task2 Started by: Yan_DFT in: long-range magnetic order 1 1 4 weeks, 1 day ago Yan_DFT fff 1 2 3 Started by: Joke Hollants in: the creation of materials from thought 35 42 1 month ago hafizhammad496 The correct TiO2 contunnite structure? Started by: HexagonReversal in: elasticity – chapter forum 2 2 1 month, 1 week ago Yan_DFT geometry optimization Started by: Yan_DFT in: step 2 : cell shape 1 1 2 months ago Yan_DFT how to calculate the coulomb interaction energy per cell Started by: Yan_DFT in: solids as quantum systems 2 2 2 months ago Alex_Relaxe method Started by: Yan_DFT in: Hartree-Fock versus DFT 1 1 2 months, 1 week ago Yan_DFT correlation difference between classical and quantum mechanism Started by: Yan_DFT in: correlation 1 1 2 months, 1 week ago Yan_DFT Jacob’s Ladden Started by: Yan_DFT in: XC-functional 1 1 2 months, 1 week ago Yan_DFT Kohn-Sham equations Started by: Yan_DFT in: Kohn-Sham equations 1 1 2 months, 2 weeks ago Yan_DFT process for symmetry information Started by: Yan_DFT in: more useful tools 1 1 2 months, 2 weeks ago Yan_DFT DFT Input Started by: Yan_DFT in: cif files 1 1 2 months, 3 weeks ago Yan_DFT negative energy? Started by: Yan_DFT in: second Hohenberg-Kohn theorem 1 1 2 months, 3 weeks ago Yan_DFT about the topic Started by: Yan_DFT in: first Hohenberg-Kohn theorem 1 1 2 months, 3 weeks ago Yan_DFT Functional Example Started by: Yan_DFT in: functions and functionals 1 1 2 months, 3 weeks ago Yan_DFT theory vs simulation Started by: Yan_DFT in: theory versus computation 1 1 3 months, 2 weeks ago Yan_DFT Viewing 15 topics - 1 through 15 (of 22 total) 1 2 →