| 查看: 1899 | 回复: 3 | |||
[求助]
求助EMC计算有效质量的问题~ 已有1人参与
|
|
使用EMC（Effective mass calculator）时候，我的操作是： （1）使用VASP自洽 （2）在EIGENVAL中寻找价带顶（导带底）的坐标 （3）编写inp （4）生成KPOINTS （5）使用软件自带test中的INCAR，刚才自己生成的KPOINTS，自洽中的POSCAR，POTCAR，CHGCAR和脚本进行计算。 test中自带的INCAR里面已经设定了ICHARG=11，我没动，但是计算总是报错： log文件中出现： LDA part: xc-table for Pade appr. of Perdew WARNING: stress and forces are not correct POSCAR, INCAR, and KPOINTS ok, start setup FFT: planning ... WAVECAR not read WARNING: dimensions on CHGCAR file are different ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 求助原因啊！！！！！！ 为什么不能算啊！！！！！！ 为什么 charge density could not be read from file CHGCAR for ICHARG>10啊啊啊！！！ 为什么WAVECAR not read啊啊啊！！！ |
回复此楼» 收录本帖的淘帖专辑推荐
 VASP计算资料收集byZF |
» 猜你喜欢
售SCI文章，我:8O.5.5.1O.54,科目全,可十急
已经有4人回复
-
售SCI一区T0P文章，我:8.O.55.1.O54,科目全,可伽急
已经有4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4人回复
-
售SCI一区T0P文章，我:8.O.55.1.O.54,科目齐全,可+急
已经有4人回复
-
售SCI-T0P文章，我:8O.5.5.1.O.54,科目齐全,可+急
已经有3人回复
-
售SCI文章，我:8O.5.5.1O.54,科目全,可十急
已经有3人回复
-
售一区SCI文章T0P，我:8O.551.O54,科目全,可十急
已经有3人回复
-
售SCI文章，我:8O5.5.1.O.54,科目齐全,可+急
已经有4人回复
-
售SCI文章，我:8O5.5.1.O.54,科目齐全,可+急
已经有3人回复
-
售SCI一区T0P文章，我:8.O.55.1.O54,科目全,可伽急
已经有3人回复
2楼2016-10-31 21:11:44
827260864
木虫 (正式写手)
- 应助: 11 (小学生)
- 金币: 3314.9
- 散金: 1031
- 红花: 2
- 帖子: 541
- 在线: 412.6小时
- 虫号: 1712095
- 注册: 2012-03-23
- 专业: 凝聚态物性 II ：电子结构
3楼2016-11-21 08:57:58
maoxinxina
银虫 (小有名气)
- 应助: 0 (幼儿园)
- 金币: 226.9
- 散金: 11
- 帖子: 214
- 在线: 172.8小时
- 虫号: 2495364
- 注册: 2013-06-04
- 性别: GG
- 专业: 化学动力学
4楼2017-06-12 18:19:04
