Comments (1)
Hello, as suggested in #274 , migrate this Issue to deepmodeling#3777
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Related Issues (20)
- Error when using Interface to Wannier90 by ABACUS HOT 1
- Differences in memory consumption between version 3.4.0 & 3.4.2 HOT 1
- The efficiency issues in running molecular dynamics simulations with the abacus HOT 1
- For large atomic systems calculate band structures HOT 1
- Optimize the GPU code of gint_rho using the CUDA math library HOT 1
- Errors while compiling ELPA.
- 安装abacus更多功能出现问题。 HOT 1
- warning.log shows “soc does not support gamma only calculation” when I am sure that lspinorb is set to be 0 HOT 1
- warning.log shows “soc does not support gamma only calculation” when I am sure that lspinorb is set to be 0
- 增加输出功能:输出每个原子的磁矩,极角和方位角 HOT 1
- 关于傅里叶变换网格的疑问
- 对于DFT➕U功能的问题
- DFT➕U打开,却对能带不起任何作用。 HOT 1
- DFT➕U打开,却不起任何作用
- unknown error in the calculation of large system
- 对于CDFT的设置存在疑惑,请老师帮忙看看是否正确
- CDFT报错
- 关于锕系元素赝势及虚晶近似方法的建议
- Setting different value of OMP_NUM_THREADS results in the fail of simulation
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