| 查看: 784 | 回复: 8 | |||
| 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]不知为什么VASP停下来？
|
|||
|
我的INCAR文件为 ENCUT=400 ISTART=0;ICHARG=2 ISMEAR=1;SIGMA=0.05 VOSKOWN=0 EDIFF=1E-4 IBRION=2 ISIF=2 NWRITE=2 PREC=Accurate KPOINTS文件为 Automatic generation 0 Monkhorst-Pack 12 12 12 0.0 0.0 0.0 OUTCAR最后输出为 k-point ** : 0.04170.37500.4583 plane waves: 7950 k-point ** : 0.12500.37500.4583 plane waves: 7956 k-point ** : 0.20830.37500.4583 plane waves: 7958 k-point ** : 0.29170.37500.4583 plane waves: 7964 k-point ** : 0.37500.37500.4583 plane waves: 7968 k-point ** : 0.45830.37500.4583 plane waves: 7965 k-point ** : 0.04170.45830.4583 plane waves: 7938 k-point ** : 0.12500.45830.4583 plane waves: 7948 k-point ** : 0.20830.45830.4583 plane waves: 7948 k-point ** : 0.29170.45830.4583 plane waves: 7964 k-point ** : 0.37500.45830.4583 plane waves: 7965 k-point ** : 0.45830.45830.4583 plane waves: 7960 maximum number of plane-waves: 7975 maximal index in each direction: IXMAX= 13 IYMAX= 13 IZMAX= 9 IXMIN=-14 IYMIN=-14 IZMIN=-10 NGX is ok and might be reduce to 56 NGY is ok and might be reduce to 56 NGZ is ok and might be reduce to 40 不知为什么算到这里VASP就退出了？哪位朋友能解答一下呢？ [ Last edited by wuchenwf on 2009-6-21 at 20:58 ] |
回复此楼» 猜你喜欢
材料调剂
已经有4人回复
-
面上模板改不了页边距吧？
已经有6人回复
-
307求调剂
已经有6人回复
-
304求调剂
已经有5人回复
-
317一志愿华南理工电气工程求调剂
已经有8人回复
-
272求调剂
已经有3人回复
-
化工专硕348，一志愿985求调剂
已经有6人回复
-
292求调剂
已经有3人回复
-
290求调剂
已经有6人回复
-
295求调剂
已经有5人回复
9楼2008-09-16 08:55:35
2楼2008-09-12 20:35:19
3楼2008-09-13 02:08:01
wuxinxing1
铁杆木虫 (著名写手)
- 应助: 0 (幼儿园)
- 金币: 15006.5
- 红花: 1
- 帖子: 1913
- 在线: 29.9小时
- 虫号: 578407
- 注册: 2008-07-04
- 性别: GG
- 专业: 理论和计算化学
4楼2008-09-13 13:41:37
