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感谢回复，我再试试 |
小团子 发表于 2023-11-23 08:58 好像是这个 |
876449830 发表于 2023-11-23 08:37 抱歉，因为初学wannier不太理解什么意思，是增加exclude_bands的带数嘛？ |
小团子 发表于 2023-11-23 08:34 增加空带数，百分之五十 |
876449830 发表于 2022-9-21 22:13 你好，请问报错解决了嘛？我遇到了同样的报错，可否指点一下，报错内容如下： Wannier90: Execution started on 23Nov2023 at 08:33:51 Found a mismatch in wannier90.eig Wanted band : 1 found band : 57 Wanted kpoint: 2 found kpoint: 1 A common cause of this error is using the wrong number of bands. Check your input files. If your pseudopotentials have shallow core states remember to account for these electrons. Exiting....... param_read: mismatch in wannier90.eig |
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你好，请问报错解决了嘛？我遇到了同样的报错，可否指点一下，报错内容如下： Wannier90: Execution started on 23Nov2023 at 08:33:51 Found a mismatch in wannier90.eig Wanted band : 1 found band : 57 Wanted kpoint: 2 found kpoint: 1 A common cause of this error is using the wrong number of bands. Check your input files. If your pseudopotentials have shallow core states remember to account for these electrons. Exiting....... param_read: mismatch in wannier90.eig |
abin 发表于 2022-9-21 16:19 谢谢您的回复！我再仔细检查一下。 |
876449830 发表于 2022-9-21 15:15 A common cause of this error is using the wrong number of bands. Check your input files. If your pseudopotentials have shallow core states remember to account for these electrons. 我就粘贴复制了一下…… 别的不懂。 |
abin 发表于 2022-9-21 10:56 感谢您的回复！我配置好环境后，重新提交，又报错如下，这个又不知该如何是好了，可否请您再指点一下，谢谢！ Wannier90: Execution started on 21Sep2022 at 15:12:10 Found a mismatch in wannier90.eig Wanted band : 1 found band : 73 Wanted kpoint: 2 found kpoint: 1 A common cause of this error is using the wrong number of bands. Check your input files. If your pseudopotentials have shallow core states remember to account for these electrons. Exiting....... param_read: mismatch in wannier90.eig |
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Please set up intel MKL. Google for details. |
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