| 查看: 3954 | 回复: 6 | ||
qdc19800214木虫 (正式写手)
|
[求助]
pw5.4.0 计算电声耦合，出现 Wrong classes for C_3v
|
|
请问我用pwscf 5.4.0计算电声耦合，有的体系好用，有的体系就会出现错误。求指教，谢谢！ 我的ph是这样的：Electron-phonon coefficients for 2ph &inputph tr2_ph=1.0d-14 prefix='2ph', fildvscf='2phdv', amass(1)=12.0107,amass(2)=10.811, outdir='./tmp/', fildyn='2ph.dyn', electron_phonon='interpolated', el_ph_sigma=0.005, trans=.true., ldisp=.true., nq1=4, nq2=4, nq3=4 / 出现的错误提示： %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine divide_class (1): Wrong classes for C_3v %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine divide_class (1): Wrong classes for C_3v %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... rank 5 in job 1 c15b2_54187 caused collective abort of all ranks exit status of rank 5: killed by signal 9 rank 2 in job 1 c15b2_54187 caused collective abort of all ranks exit status of rank 2: killed by signal 9 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 5 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 2 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 6 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 1 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 9 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 7 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 10 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 4 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 3 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 8 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 11 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 |
回复此楼» 猜你喜欢
上海工程技术大学【激光智能制造】课题组招收硕士
已经有6人回复
-
带资进组求博导收留
已经有11人回复
-
自荐读博
已经有5人回复
-
求个博导看看
已经有16人回复
-
上海工程技术大学张培磊教授团队招收博士生
已经有4人回复
-
求助院士们，这个如何合成呀
已经有4人回复
-
临港实验室与上科大联培博士招生1名
已经有9人回复
-
写了一篇“相变储能技术在冷库中应用”的论文，论文内容以实验为主，投什么期刊合适？
已经有6人回复
-
最近几年招的学生写论文不引自己组发的文章
已经有11人回复
-
中科院杭州医学所招收博士生一名（生物分析化学、药物递送）
已经有3人回复
2楼2016-11-11 23:34:02
qdc19800214
木虫 (正式写手)
- 应助: 0 (幼儿园)
- 金币: 5626.3
- 散金: 1019
- 红花: 3
- 帖子: 743
- 在线: 150.8小时
- 虫号: 1345255
- 注册: 2011-07-14
- 性别: GG
- 专业: 凝聚态物性 II ：电子结构
3楼2016-11-12 10:49:54
4楼2016-12-22 09:18:27
qdc19800214
木虫 (正式写手)
- 应助: 0 (幼儿园)
- 金币: 5626.3
- 散金: 1019
- 红花: 3
- 帖子: 743
- 在线: 150.8小时
- 虫号: 1345255
- 注册: 2011-07-14
- 性别: GG
- 专业: 凝聚态物性 II ：电子结构
5楼2016-12-22 19:23:32
6楼2018-03-20 22:45:02
qdc19800214
木虫 (正式写手)
- 应助: 0 (幼儿园)
- 金币: 5626.3
- 散金: 1019
- 红花: 3
- 帖子: 743
- 在线: 150.8小时
- 虫号: 1345255
- 注册: 2011-07-14
- 性别: GG
- 专业: 凝聚态物性 II ：电子结构
7楼2018-03-21 14:44:53