| 查看: 735 | 回复: 1 | |||
| 【悬赏金币】回答本帖问题，作者烟雨WZS将赠送您 10 个金币 | |||
[求助]
用electron_phonon = 'epa'运行ph.x，报错了请问怎么解决谢谢 已有1人参与
|
|||
|
这是我的ph.in PbSnSe &inputph prefix = 'PbSnSe' outdir = '../tmp/' reduce_io = .false. tr2_ph = 1.0d-14 trans = .true. fildyn = 'PbSnSe.dyn' fildvscf = 'dvscf' electron_phonon = 'epa' ldisp = .true. epsil = .true. nq1 = 6 nq2 = 6 nq3 = 1 这是ph.out里面报错的信息 negative rho (up, down): 1.652E-02 0.000E+00 Reading collected, re-writing distributed wavefunctions %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine phq_readin (1): Electron-phonon only for metals %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine phq_readin (1): Electron-phonon only for metals %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% |
回复此楼» 猜你喜欢
上海工程技术大学张培磊教授团队招收博士生
已经有3人回复
-
上海工程技术大学【激光智能制造】课题组招收硕士
已经有5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
-
想换工作。大多数高校都是 评职称时 认可5年内在原单位取得的成果吗？
已经有7人回复
-
需要合成515-64-0，50g，能接单的留言
已经有4人回复
-
自荐读博
已经有4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
-
带资进组求博导收留
已经有10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
dxcharlary
专家顾问 (职业作家)
-
专家经验: +83 - 1ST强帖: 2
- 应助: 251 (大学生)
- 金币: 10399.6
- 散金: 155
- 红花: 65
- 帖子: 3137
- 在线: 757.1小时
- 虫号: 936718
- 注册: 2010-01-04
- 专业: 凝聚态物性I:结构、力学和
- 管辖: 第一性原理
2楼2023-08-15 01:02:51