版塊導航: 正在加載中...

登錄注冊

應《網絡安全法》要求，自2017年10月1日起，未進行實名認證將不得使用互聯(lián)網跟帖服務。為保障您的帳號能夠正常使用，請盡快對帳號進行手機號驗證，感謝您的理解與支持！

24小時熱門版塊排行榜

返回列表

2009021425

木蟲 (小有名氣)

應助: 1 (幼兒園)
金幣: 1797.2
散金: 64
帖子: 283
在線: 242.4小時
蟲號: 1111080
注冊: 2010-09-29
性別: GG
專業(yè): 無機非金屬類電介質與電解

[求助] cElementTree.ParseError: no element found: line 1579, column 0 已有1人參與

phonopy --fc vasprun.xml
      _
  _ __ | |__ ___  _ __ ___ _ __  _ _
| '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | |
| |_) | | | | (_) | | | | (_) || |_) | |_| |
| .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, |
|_|                         |_| |___/
                                    2.4.2

Traceback (most recent call last):
  File "/home/yibinu/.local/bin/phonopy", line 5, in <module>
pkg_resources.run_script('phonopy==2.4.2', 'phonopy')
  File "/usr/lib/python2.7/site-packages/pkg_resources.py", line 540, in run_script
self.require(requires)[0].run_script(script_name, ns)
  File "/usr/lib/python2.7/site-packages/pkg_resources.py", line 1462, in run_script
exec_(script_code, namespace, namespace)
  File "/usr/lib/python2.7/site-packages/pkg_resources.py", line 41, in exec_
exec("""exec code in globs, locs"""

  File "<string>", line 1, in <module>
  File "/home/yibinu/.local/lib/python2.7/site-packages/phonopy-2.4.2-py2.7-linux-x86_64.egg/EGG-INFO/scripts/phonopy", line 460, in <module>

  File "build/bdist.linux-x86_64/egg/phonopy/interface/vasp.py", line 115, in create_FORCE_CONSTANTS
  File "build/bdist.linux-x86_64/egg/phonopy/interface/vasp.py", line 156, in parse_force_constants
  File "build/bdist.linux-x86_64/egg/phonopy/interface/vasp.py", line 522, in read_force_constants
  File "build/bdist.linux-x86_64/egg/phonopy/interface/vasp.py", line 538, in _get_force_constants
  File "build/bdist.linux-x86_64/egg/phonopy/interface/vasp.py", line 605, in _parse_by_etree
  File "<string>", line 107, in next
cElementTree.ParseError: no element found: line 1579, column 0

How can I solve this problem? Thanks!

回復此樓

» 猜你喜歡

深圳大學碩士招生（2026秋，傳感器方向，僅錄取第一志愿）已經有10人回復
278求調劑已經有5人回復
化學工程321分求調劑已經有15人回復
材料專碩306英一數二已經有11人回復
334求調劑已經有3人回復
268求調劑已經有5人回復
293求調劑已經有16人回復
302求調劑已經有7人回復
312求調劑已經有6人回復
281求調劑（0805）已經有9人回復

1樓 2020-06-02 10:40:21

已閱回復此樓關注TA 給TA發(fā)消息送TA紅花 TA的回帖

2009021425

木蟲 (小有名氣)

應助: 1 (幼兒園)
金幣: 1797.2
散金: 64
帖子: 283
在線: 242.4小時
蟲號: 1111080
注冊: 2010-09-29
性別: GG
專業(yè): 無機非金屬類電介質與電解

各位老師同學，真心求助，金幣可追加。

發(fā)自小木蟲Android客戶端

贊一下

回復此樓

2樓2020-06-02 11:38:21

已閱回復此樓關注TA 給TA發(fā)消息送TA紅花 TA的回帖

zhubonan

鐵蟲 (初入文壇)

應助: 2 (幼兒園)
金幣: 11.6
帖子: 13
在線: 2.7小時
蟲號: 22518332
注冊: 2020-06-01
性別: GG
專業(yè): 凝聚態(tài)物性 II ：電子結構

【答案】應助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感謝參與，應助指數 +1
2009021425: 金幣+20, ★★★很有幫助 2020-06-05 09:41:47
2009021425: 金幣+10, ★★★很有幫助 2020-10-09 10:56:17

your vasprun.xml does not contain the force constants! What is the IBRION used?

See:
https://phonopy.github.io/phonopy/vasp-dfpt.html#vasp-dfpt-interface

贊一下(1人)

回復此樓

» 本帖已獲得的紅花（最新10朵）

2009021425

3樓2020-06-02 16:53:53

已閱回復此樓關注TA 給TA發(fā)消息送TA紅花 TA的回帖

2009021425

木蟲 (小有名氣)

應助: 1 (幼兒園)
金幣: 1797.2
散金: 64
帖子: 283
在線: 242.4小時
蟲號: 1111080
注冊: 2010-09-29
性別: GG
專業(yè): 無機非金屬類電介質與電解

送紅花一朵

引用回帖:

3樓: Originally posted by zhubonan at 2020-06-02 16:53:53
your vasprun.xml does not contain the force constants! What is the IBRION used?

See:
https://phonopy.github.io/phonopy/vasp-dfpt.html#vasp-dfpt-interface

謝謝，我試試

回復此樓

4樓2020-06-04 20:22:17

已閱回復此樓關注TA 給TA發(fā)消息送TA紅花 TA的回帖

2009021425

木蟲 (小有名氣)

應助: 1 (幼兒園)
金幣: 1797.2
散金: 64
帖子: 283
在線: 242.4小時
蟲號: 1111080
注冊: 2010-09-29
性別: GG
專業(yè): 無機非金屬類電介質與電解

引用回帖:

INCAR
PREC = Accurate
  ENCUT = 500
IBRION = 8
NSW = 1
  EDIFF = 1.0e-08
  IALGO = 38
ISMEAR = 0
  SIGMA = 0.1
  LREAL = .FALSE.
ADDGRID = .TRUE.
  LWAVE = .FALSE.
LCHARG = .FALSE.

運行 phonopy --fc vasprun.xml
phonopy --fc vasprun.xml
      _
  _ __ | |__ ___  _ __ ___ _ __  _ _
| '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | |
| |_) | | | | (_) | | | | (_) || |_) | |_| |
| .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, |
|_|                         |_| |___/
                                    2.4.2

Traceback (most recent call last):
  File "/usr/local/bin/phonopy", line 4, in <module>
__import__('pkg_resources').run_script('phonopy==2.4.2', 'phonopy')
  File "/usr/lib/python3.6/site-packages/pkg_resources/__init__.py", line 654, in run_script
self.require(requires)[0].run_script(script_name, ns)
  File "/usr/lib/python3.6/site-packages/pkg_resources/__init__.py", line 1434, in run_script
exec(code, namespace, namespace)
  File "/usr/local/lib64/python3.6/site-packages/phonopy-2.4.2-py3.6-linux-x86_64.egg/EGG-INFO/scripts/phonopy", line 460, in <module>
error_num = create_FORCE_CONSTANTS(filename, write_hdf5, log_level)
  File "/usr/local/lib64/python3.6/site-packages/phonopy-2.4.2-py3.6-linux-x86_64.egg/phonopy/interface/vasp.py", line 115, in create_FORCE_CONSTANTS
fc_and_atom_types = parse_force_constants(filename)
  File "/usr/local/lib64/python3.6/site-packages/phonopy-2.4.2-py3.6-linux-x86_64.egg/phonopy/interface/vasp.py", line 156, in parse_force_constants
return vasprun.read_force_constants()
  File "/usr/local/lib64/python3.6/site-packages/phonopy-2.4.2-py3.6-linux-x86_64.egg/phonopy/interface/vasp.py", line 522, in read_force_constants
return self._get_force_constants(vasprun)
  File "/usr/local/lib64/python3.6/site-packages/phonopy-2.4.2-py3.6-linux-x86_64.egg/phonopy/interface/vasp.py", line 538, in _get_force_constants
for event, element in vasprun_etree:
  File "/usr/local/lib64/python3.6/site-packages/phonopy-2.4.2-py3.6-linux-x86_64.egg/phonopy/interface/vasp.py", line 605, in _parse_by_etree
for event, elem in etree.iterparse(fileptr):
  File "/usr/lib64/python3.6/xml/etree/ElementTree.py", line 1227, in iterator
root = pullparser._close_and_return_root()
  File "/usr/lib64/python3.6/xml/etree/ElementTree.py", line 1274, in _close_and_return_root
root = self._parser.close()
xml.etree.ElementTree.ParseError: no element found: line 925, column 0
問題出在哪里呢，沒有輸出hessian矩陣？謝謝！

贊一下

回復此樓

5樓2020-06-05 02:13:39

已閱回復此樓關注TA 給TA發(fā)消息送TA紅花 TA的回帖

相關版塊跳轉我要訂閱樓主 2009021425 的主題更新

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] 278求調劑 +5	煙火先于春 2026-03-17	5/250	2026-03-18 08:43 by 星空星月
[考研] 085601專碩，總分342求調劑，地區(qū)不限 +4	share_joy 2026-03-16	4/200	2026-03-17 21:32 by hmn_wj
[考研] 能源材料化學課題組招收碩士研究生8-10名 +3	脫穎而出 2026-03-16	6/300	2026-03-17 21:19 by z1z2z3879
[考研] 【0856】化學工程（085602）313 分，本科學科評估A類院�；瘜W工程與工藝，誠求調劑 +7	小劉快快上岸 2026-03-11	8/400	2026-03-17 16:57 by ruiyingmiao
[考研] 一志愿蘇州大學材料工程（085601）專碩有科研經歷三項國獎兩個實用型專利一項省級立項 +6	大火山小火山 2026-03-16	8/400	2026-03-17 15:05 by 無懈可擊111
[考研] 08工科 320總分求調劑 +4	梨花珞晚風 2026-03-17	4/200	2026-03-17 13:38 by houyaoxu
[論文投稿] 有沒有大佬發(fā)小論文能帶我個二作 +3	增銳漏人 2026-03-17	4/200	2026-03-17 09:26 by xs74101122
[考研] 一志愿985，本科211，0817化學工程與技術319求調劑 +5	Liwangman 2026-03-15	5/250	2026-03-16 17:10 by 我的船我的海
[考研] 304求調劑 +5	素年祭語 2026-03-15	5/250	2026-03-16 17:00 by 我的船我的海
[考研] 0703一志愿211 285分求調劑 +5	ly3471z 2026-03-13	5/250	2026-03-16 16:16 by 哦哦123
[考研] 070303一志愿西北大學學碩310找調劑 +5	d如愿上岸 2026-03-12	8/400	2026-03-16 15:19 by peike
[考研] 中科大材料專碩319求調劑 +3	孟鑫材料 2026-03-13	3/150	2026-03-14 18:10 by houyaoxu
[考研] 【0703化學調劑】-一志愿華中師范大學-六級475 +5	Becho359 2026-03-11	5/250	2026-03-14 11:35 by 哦哦123
[基金申請] 有必要更換申報口嗎 20+3	fannyamoy 2026-03-11	3/150	2026-03-14 00:52 by zhanghaozhu
[考研] 工科，求調劑 +3	我887 2026-03-11	3/150	2026-03-13 21:39 by JourneyLucky
[考研] 329求調劑 +3	miaodesi 2026-03-12	4/200	2026-03-13 20:53 by 18595523086
[考研] 281求調劑 +9	Koxui 2026-03-12	11/550	2026-03-13 20:50 by Koxui
[考研] 26調劑/材料科學與工程/總分295/求收留 +9	2026調劑俠 2026-03-12	9/450	2026-03-13 20:46 by 18595523086
[考研] 材料工程調劑 +4	咪咪空空 2026-03-11	4/200	2026-03-13 19:57 by JourneyLucky
[考研] 工科材料085601 279求調劑 +8	困于星晨 2026-03-12	10/500	2026-03-13 15:42 by ms629

亭亭五月天在线观看,亭亭五月天在线观看,国产最新av一区二区,国产 高清 中文字幕,99re热久久亚洲综合精品成人,熟妇 一区二区三区,一级做a爰片性色毛片武则天,美女的骚穴视频播放,国产美女午夜免费视频

24小時熱門版塊排行榜

2009021425

[求助] cElementTree.ParseError: no element found: line 1579, column 0 已有1人參與

» 猜你喜歡

2009021425

zhubonan

【答案】應助回帖

» 本帖已獲得的紅花（最新10朵）

2009021425

2009021425

亭亭五月天在线观看,亭亭五月天在线观看,国产最新av一区二区,国产高清中文字幕,99re热久久亚洲综合精品成人,熟妇一区二区三区,一级做a爰片性色毛片武则天,美女的骚穴视频播放,国产美女午夜免费视频