| 3 | 1/1 | 返回列表 |
| 查看: 499 | 回復(fù): 2 | |||
[求助]
MS導(dǎo)出的cell文件中原子坐標(biāo)有4列,分別是什么意思
|
|
%BLOCK KPOINTS_LIST 0.4375000000000000 0.4375000000000000 0.3750000000000000 0.007812500000000 0.4375000000000000 0.4375000000000000 0.1250000000000000 0.007812500000000 0.4375000000000000 0.4375000000000000 -0.1250000000000000 0.007812500000000 0.4375000000000000 0.4375000000000000 -0.3750000000000000 0.007812500000000 0.4375000000000000 0.3125000000000000 0.3750000000000000 0.007812500000000 0.4375000000000000 0.3125000000000000 0.1250000000000000 0.007812500000000 0.4375000000000000 0.3125000000000000 -0.1250000000000000 0.007812500000000 0.4375000000000000 0.3125000000000000 -0.3750000000000000 0.007812500000000 0.4375000000000000 0.1875000000000000 0.3750000000000000 0.007812500000000 0.4375000000000000 0.1875000000000000 0.1250000000000000 0.007812500000000 0.4375000000000000 0.1875000000000000 -0.1250000000000000 0.007812500000000 0.4375000000000000 0.1875000000000000 -0.3750000000000000 0.007812500000000 0.4375000000000000 0.0625000000000000 0.3750000000000000 0.007812500000000 0.4375000000000000 0.0625000000000000 0.1250000000000000 0.007812500000000 0.4375000000000000 0.0625000000000000 -0.1250000000000000 0.007812500000000 0.4375000000000000 0.0625000000000000 -0.3750000000000000 0.007812500000000 0.4375000000000000 -0.0625000000000000 0.3750000000000000 0.007812500000000 0.4375000000000000 -0.0625000000000000 0.1250000000000000 0.007812500000000 0.4375000000000000 -0.0625000000000000 -0.1250000000000000 0.007812500000000 0.4375000000000000 -0.0625000000000000 -0.3750000000000000 0.007812500000000 0.4375000000000000 -0.1875000000000000 0.3750000000000000 0.007812500000000 0.4375000000000000 -0.1875000000000000 0.1250000000000000 0.007812500000000 0.4375000000000000 -0.1875000000000000 -0.1250000000000000 0.007812500000000 0.4375000000000000 -0.1875000000000000 -0.3750000000000000 0.007812500000000 0.4375000000000000 -0.3125000000000000 0.3750000000000000 0.007812500000000 0.4375000000000000 -0.3125000000000000 0.1250000000000000 0.007812500000000 0.4375000000000000 -0.3125000000000000 -0.1250000000000000 0.007812500000000 0.4375000000000000 -0.3125000000000000 -0.3750000000000000 0.007812500000000 0.4375000000000000 -0.4375000000000000 0.3750000000000000 0.007812500000000 0.4375000000000000 -0.4375000000000000 0.1250000000000000 0.007812500000000 0.4375000000000000 -0.4375000000000000 -0.1250000000000000 0.007812500000000 0.4375000000000000 -0.4375000000000000 -0.3750000000000000 0.007812500000000 0.3125000000000000 0.4375000000000000 0.3750000000000000 0.007812500000000 0.3125000000000000 0.4375000000000000 0.1250000000000000 0.007812500000000 0.3125000000000000 0.4375000000000000 -0.1250000000000000 0.007812500000000 0.3125000000000000 0.4375000000000000 -0.3750000000000000 0.007812500000000 0.3125000000000000 0.3125000000000000 0.3750000000000000 0.007812500000000 0.3125000000000000 0.3125000000000000 0.1250000000000000 0.007812500000000 0.3125000000000000 0.3125000000000000 -0.1250000000000000 0.007812500000000 0.3125000000000000 0.3125000000000000 -0.3750000000000000 0.007812500000000 0.3125000000000000 0.1875000000000000 0.3750000000000000 0.007812500000000 0.3125000000000000 0.1875000000000000 0.1250000000000000 0.007812500000000 0.3125000000000000 0.1875000000000000 -0.1250000000000000 0.007812500000000 0.3125000000000000 0.1875000000000000 -0.3750000000000000 0.007812500000000 0.3125000000000000 0.0625000000000000 0.3750000000000000 0.007812500000000 0.3125000000000000 0.0625000000000000 0.1250000000000000 0.007812500000000 0.3125000000000000 0.0625000000000000 -0.1250000000000000 0.007812500000000 0.3125000000000000 0.0625000000000000 -0.3750000000000000 0.007812500000000 0.3125000000000000 -0.0625000000000000 0.3750000000000000 0.007812500000000 0.3125000000000000 -0.0625000000000000 0.1250000000000000 0.007812500000000 0.3125000000000000 -0.0625000000000000 -0.1250000000000000 0.007812500000000 0.3125000000000000 -0.0625000000000000 -0.3750000000000000 0.007812500000000 0.3125000000000000 -0.1875000000000000 0.3750000000000000 0.007812500000000 0.3125000000000000 -0.1875000000000000 0.1250000000000000 0.007812500000000 0.3125000000000000 -0.1875000000000000 -0.1250000000000000 0.007812500000000 0.3125000000000000 -0.1875000000000000 -0.3750000000000000 0.007812500000000 0.3125000000000000 -0.3125000000000000 0.3750000000000000 0.007812500000000 0.3125000000000000 -0.3125000000000000 0.1250000000000000 0.007812500000000 0.3125000000000000 -0.3125000000000000 -0.1250000000000000 0.007812500000000 0.3125000000000000 -0.3125000000000000 -0.3750000000000000 0.007812500000000 0.3125000000000000 -0.4375000000000000 0.3750000000000000 0.007812500000000 0.3125000000000000 -0.4375000000000000 0.1250000000000000 0.007812500000000 0.3125000000000000 -0.4375000000000000 -0.1250000000000000 0.007812500000000 0.3125000000000000 -0.4375000000000000 -0.3750000000000000 0.007812500000000 0.1875000000000000 0.4375000000000000 0.3750000000000000 0.007812500000000 0.1875000000000000 0.4375000000000000 0.1250000000000000 0.007812500000000 0.1875000000000000 0.4375000000000000 -0.1250000000000000 0.007812500000000 0.1875000000000000 0.4375000000000000 -0.3750000000000000 0.007812500000000 0.1875000000000000 0.3125000000000000 0.3750000000000000 0.007812500000000 0.1875000000000000 0.3125000000000000 0.1250000000000000 0.007812500000000 0.1875000000000000 0.3125000000000000 -0.1250000000000000 0.007812500000000 0.1875000000000000 0.3125000000000000 -0.3750000000000000 0.007812500000000 0.1875000000000000 0.1875000000000000 0.3750000000000000 0.007812500000000 0.1875000000000000 0.1875000000000000 0.1250000000000000 0.007812500000000 0.1875000000000000 0.1875000000000000 -0.1250000000000000 0.007812500000000 0.1875000000000000 0.1875000000000000 -0.3750000000000000 0.007812500000000 0.1875000000000000 0.0625000000000000 0.3750000000000000 0.007812500000000 0.1875000000000000 0.0625000000000000 0.1250000000000000 0.007812500000000 0.1875000000000000 0.0625000000000000 -0.1250000000000000 0.007812500000000 0.1875000000000000 0.0625000000000000 -0.3750000000000000 0.007812500000000 0.1875000000000000 -0.0625000000000000 0.3750000000000000 0.007812500000000 0.1875000000000000 -0.0625000000000000 0.1250000000000000 0.007812500000000 0.1875000000000000 -0.0625000000000000 -0.1250000000000000 0.007812500000000 0.1875000000000000 -0.0625000000000000 -0.3750000000000000 0.007812500000000 0.1875000000000000 -0.1875000000000000 0.3750000000000000 0.007812500000000 0.1875000000000000 -0.1875000000000000 0.1250000000000000 0.007812500000000 0.1875000000000000 -0.1875000000000000 -0.1250000000000000 0.007812500000000 0.1875000000000000 -0.1875000000000000 -0.3750000000000000 0.007812500000000 0.1875000000000000 -0.3125000000000000 0.3750000000000000 0.007812500000000 0.1875000000000000 -0.3125000000000000 0.1250000000000000 0.007812500000000 0.1875000000000000 -0.3125000000000000 -0.1250000000000000 0.007812500000000 0.1875000000000000 -0.3125000000000000 -0.3750000000000000 0.007812500000000 0.1875000000000000 -0.4375000000000000 0.3750000000000000 0.007812500000000 0.1875000000000000 -0.4375000000000000 0.1250000000000000 0.007812500000000 0.1875000000000000 -0.4375000000000000 -0.1250000000000000 0.007812500000000 0.1875000000000000 -0.4375000000000000 -0.3750000000000000 0.007812500000000 0.0625000000000000 0.4375000000000000 0.3750000000000000 0.007812500000000 0.0625000000000000 0.4375000000000000 0.1250000000000000 0.007812500000000 0.0625000000000000 0.4375000000000000 -0.1250000000000000 0.007812500000000 0.0625000000000000 0.4375000000000000 -0.3750000000000000 0.007812500000000 0.0625000000000000 0.3125000000000000 0.3750000000000000 0.007812500000000 0.0625000000000000 0.3125000000000000 0.1250000000000000 0.007812500000000 0.0625000000000000 0.3125000000000000 -0.1250000000000000 0.007812500000000 0.0625000000000000 0.3125000000000000 -0.3750000000000000 0.007812500000000 0.0625000000000000 0.1875000000000000 0.3750000000000000 0.007812500000000 0.0625000000000000 0.1875000000000000 0.1250000000000000 0.007812500000000 0.0625000000000000 0.1875000000000000 -0.1250000000000000 0.007812500000000 0.0625000000000000 0.1875000000000000 -0.3750000000000000 0.007812500000000 0.0625000000000000 0.0625000000000000 0.3750000000000000 0.007812500000000 0.0625000000000000 0.0625000000000000 0.1250000000000000 0.007812500000000 0.0625000000000000 0.0625000000000000 -0.1250000000000000 0.007812500000000 0.0625000000000000 0.0625000000000000 -0.3750000000000000 0.007812500000000 0.0625000000000000 -0.0625000000000000 0.3750000000000000 0.007812500000000 0.0625000000000000 -0.0625000000000000 0.1250000000000000 0.007812500000000 0.0625000000000000 -0.0625000000000000 -0.1250000000000000 0.007812500000000 0.0625000000000000 -0.0625000000000000 -0.3750000000000000 0.007812500000000 0.0625000000000000 -0.1875000000000000 0.3750000000000000 0.007812500000000 0.0625000000000000 -0.1875000000000000 0.1250000000000000 0.007812500000000 0.0625000000000000 -0.1875000000000000 -0.1250000000000000 0.007812500000000 0.0625000000000000 -0.1875000000000000 -0.3750000000000000 0.007812500000000 0.0625000000000000 -0.3125000000000000 0.3750000000000000 0.007812500000000 0.0625000000000000 -0.3125000000000000 0.1250000000000000 0.007812500000000 0.0625000000000000 -0.3125000000000000 -0.1250000000000000 0.007812500000000 0.0625000000000000 -0.3125000000000000 -0.3750000000000000 0.007812500000000 0.0625000000000000 -0.4375000000000000 0.3750000000000000 0.007812500000000 0.0625000000000000 -0.4375000000000000 0.1250000000000000 0.007812500000000 0.0625000000000000 -0.4375000000000000 -0.1250000000000000 0.007812500000000 0.0625000000000000 -0.4375000000000000 -0.3750000000000000 0.007812500000000 |

專家顧問(wèn) (著名寫手)
Ab Initio Amateur
![]() |
專家經(jīng)驗(yàn): +224 |


| 3 | 1/1 | 返回列表 |
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 384求調(diào)劑 +3 | 子系博 2026-03-22 | 4/200 |
|
|---|---|---|---|---|
|
[考研] 一志愿重慶大學(xué)085700資源與環(huán)境總分308求調(diào)劑 +7 | 墨墨漠 2026-03-20 | 7/350 |
|
|
[考研] 材料與化工(0856)304求 B區(qū) 調(diào)劑 +3 | 邱gl 2026-03-21 | 3/150 |
|
|
[考研] 求調(diào)劑 +6 | Mqqqqqq 2026-03-19 | 6/300 |
|
|
[考研] 265求調(diào)劑 +3 | Jack?k?y 2026-03-17 | 3/150 |
|
|
[考研] 華東師范大學(xué)-071000生物學(xué)-293分-求調(diào)劑 +3 | 研究生何瑤明 2026-03-18 | 3/150 |
|
|
[考研] 一志愿 西北大學(xué) ,070300化學(xué)學(xué)碩,總分287,雙非一本,求調(diào)劑。 +4 | 晨昏線與星海 2026-03-19 | 4/200 |
|
|
[考研] 藥學(xué)383 求調(diào)劑 +3 | 藥學(xué)chy 2026-03-15 | 5/250 |
|
|
[考研] A區(qū)線材料學(xué)調(diào)劑 +5 | 周周無(wú)極 2026-03-20 | 5/250 |
|
|
[考研] 材料學(xué)求調(diào)劑 +4 | Stella_Yao 2026-03-20 | 4/200 |
|
|
[考研] 一志愿西安交通大學(xué) 學(xué)碩 354求調(diào)劑211或者雙一流 +3 | 我想要讀研究生 2026-03-20 | 3/150 |
|
|
[考研] 281求調(diào)劑(0805) +14 | 煙汐憶海 2026-03-16 | 25/1250 |
|
|
[考研] 材料學(xué)碩318求調(diào)劑 +5 | February_Feb 2026-03-19 | 5/250 |
|
|
[考博] 申博26年 +3 | 八6八68 2026-03-19 | 3/150 |
|
|
[考研] 材料考研調(diào)劑 +3 | xwt。 2026-03-19 | 3/150 |
|
|
[考研] 材料工程專碩調(diào)劑 +5 | 204818@lcx 2026-03-17 | 6/300 |
|
|
[考研] 312求調(diào)劑 +8 | 陌宸希 2026-03-16 | 9/450 |
|
|
[考研] 293求調(diào)劑 +11 | zjl的號(hào) 2026-03-16 | 16/800 |
|
|
[考研] 308求調(diào)劑 +4 | 是Lupa啊 2026-03-16 | 4/200 |
|
|
[考研] 275求調(diào)劑 +4 | 太陽(yáng)花天天開心 2026-03-16 | 4/200 |
|