| 查看: 1148 | 回复: 2 | |||
| 当前主题已经存档。 | |||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | |||
[交流]
【求助】WARNING: random wavefunctions but no delay ... ...
|
|||
|
Hi, everyone! I am sorry that I cannot type Chinese now. I met a problem during the calculation. My INCAR is solid_ethanol Electronic minimization PREC = HIGH EDIFF = 1e-6 GGA = PE LREAL = Auto ALGO = NORMAL NELM = 200 Ionic relaxation NSW = 100 EDIFFG = -0.01 IBRION = 2 POTIM = 0.5 ISIF = 7 DOS related values ISMEAR = 0 SIGMA = 0.2 But there is a warning in the output file: WARNING: random wavefunctions but no delay for mixing, default for NELMDL I don't know what's wrong with my incar. Any advice is appreciate. Thanks! [ Last edited by zzgyb on 2008-9-2 at 11:50 ] |
回复此楼» 猜你喜欢
售SCI一区T0P文章，我:8O.55.1.O.5.4,科目齐全,可+急
已经有4人回复
-
售SCI一区T0P文章，我:8O.55.1.O.5.4,科目齐全,可+急
已经有5人回复
-
售一区SCI文章T0P，我:8O.551.O54,科目全,可十急
已经有6人回复
-
售SCI一区T0P文章，我:8.O.55.1.O.5.4,科目全,可+急
已经有9人回复
-
售SCI一区文章，我:8.O.551.O.5.4,科目全,可伽急
已经有9人回复
-
售SCI一区文章，我:8.O.55.1.O.54,科目齐全,可伽急
已经有8人回复
-
售SCI文章，我:8O5.5.1.O.54,科目齐全,可+急
已经有7人回复
-
售SCI一区文章，我:8.O.55.1.O.54,科目齐全,可伽急
已经有11人回复
-
售SCI一区文章，我:8O5.5.1.O5.4,科目全,可伽急
已经有12人回复
-
售SCI文章，我:8O5.5.1.O.54,科目齐全,可+急
已经有9人回复
3楼2008-09-03 22:20:17
chemofish
木虫 (正式写手)
- 应助: 6 (幼儿园)
- 金币: 2960.4
- 红花: 3
- 帖子: 704
- 在线: 167.4小时
- 虫号: 481656
- 注册: 2007-12-18
- 性别: GG
- 专业: 半导体材料
2楼2008-09-02 00:12:27
