Discussions

• 1 You must be logged in to vote

  🙏

  Band Gap calculation

  achyuttt asked May 3, 2024 in Q&A · Unanswered

  

  

  0
• 1 You must be logged in to vote

  🙏

  Dispersion Correction

  achyuttt asked May 1, 2024 in Q&A · Closed · Answered

  

  

  1
• 1 You must be logged in to vote

  💬

  K_points confusion

  achyuttt started Apr 12, 2024 in General

  

  

  4
• 1 You must be logged in to vote

  🙏

  How to run modes_in.hsd

  achyuttt asked Apr 25, 2024 in Q&A · Answered

  

  

  1
• 1 You must be logged in to vote

  🙏

  Got a same Density of states number of times

  achyuttt asked Apr 17, 2024 in Q&A · Unanswered

  

  

  0
• 1 You must be logged in to vote

  💬

  K_points confusions

  achyuttt started Apr 12, 2024 in General · Closed

  

  

  1
• 1 You must be logged in to vote

  🙏

  Error while running dftb+

  faizanazar asked Aug 22, 2023 in Q&A · Unanswered

  

  

  

  

  3
• 1 You must be logged in to vote

  💬

  DFTB+ beginner

  achyuttt started Apr 5, 2024 in General · Closed

  

  

  2
• 1 You must be logged in to vote

  💡

  DFTB+ beginner

  achyuttt started Apr 5, 2024 in Ideas · Closed

  

  

  1
• 1 You must be logged in to vote

  🙏

  KPointsAndWeights has been ignored by the parser

  qixiangyin asked Nov 23, 2023 in Q&A · Closed · Answered

  

  

  2
• 1 You must be logged in to vote

  🙏

  Creating "transition density oribital"

  germanbarcenas asked Dec 21, 2022 in Q&A · Answered

  

  

  

  

  6
• 1 You must be logged in to vote

  🙏

  Electron dynamics with custom external fields

  samusake55 asked Jan 23, 2023 in Q&A · Answered

  

  

  5
• 1 You must be logged in to vote

  💡

  integrate DFTB+ with DeePMD-kit

  njzjz started Jan 26, 2023 in Ideas

  

  

  2
• 1 You must be logged in to vote

  🙏

  How DFTB+ manages atomic charges?

  gekbuccella asked Nov 16, 2022 in Q&A · Unanswered

  

  

  1
• 1 You must be logged in to vote

  💬

  DFTB+ 21.0

  jjventura started Oct 26, 2022 in General

  

  

  2
• 1 You must be logged in to vote

  🙏

  DFTD3 errors.

  wuxy92 asked Aug 25, 2022 in Q&A · Answered

  

  

  5
• 1 You must be logged in to vote

  🙏

  DFTB+ v 21.2 - memory saturation on cluster

  gekbuccella asked Jul 13, 2022 in Q&A · Unanswered

  

  

  0
• 1 You must be logged in to vote

  🙏

  Conda dependencies broken by OpenMPI 4.1.3

  MPI Relates to distributed parallel Packaging: condaforge

  jhrmnn asked Apr 19, 2022 in Q&A · Answered

  

  

  8
• 1 You must be logged in to vote

  🙏

  xTB, GFN2-xTB open-shell calculations

  AndresOrtegaGuerrero asked Feb 27, 2022 in Q&A · Unanswered

  

  

  0
• 2 You must be logged in to vote

  🙏

  How to enable GPU computing?

  njzjz asked Jan 16, 2022 in Q&A · Answered

  

  

  3