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Johannes Meusburger
,
Sourav Guha
3
1:51 PM
USPEX and Quantum ESPRESSO; calculation stuck after one generation
Hello, Did you manage to solve this issue? On Tuesday, February 15, 2022 at 4:41:07 AM UTC+5:30
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USPEX and Quantum ESPRESSO; calculation stuck after one generation
Hello, Did you manage to solve this issue? On Tuesday, February 15, 2022 at 4:41:07 AM UTC+5:30
1:51 PM
Sourav Guha
10:19 AM
Undefined variable "ORG_STRUC" or class "ORG_STRUC.numIons"
I am running Ex31, modifying the elements by Te & Mo, but always getting the below errors: status
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Undefined variable "ORG_STRUC" or class "ORG_STRUC.numIons"
I am running Ex31, modifying the elements by Te & Mo, but always getting the below errors: status
10:19 AM
Sourav Guha
Jul 24
Primary job terminated normally, but 1 process returned a non-zero exit code
Hello, I am trying to run EX07. modifying Si with C. I want to find best structure for graphene.
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Primary job terminated normally, but 1 process returned a non-zero exit code
Hello, I am trying to run EX07. modifying Si with C. I want to find best structure for graphene.
Jul 24
H.Benaissa
Jul 18
phase diagram
Hello USPEX team is the phase diagram implemented in the USPEX v.2023.0.3 ? thank you in advance
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phase diagram
Hello USPEX team is the phase diagram implemented in the USPEX v.2023.0.3 ? thank you in advance
Jul 18
Renato Alves Pereira
Jul 10
Is there a time limit for running USPEX?
Is there a time limit for running USPEX?
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Is there a time limit for running USPEX?
Is there a time limit for running USPEX?
Jul 10
Kurban Magomedov
Jul 1
when update uspex python new version with latest python package?
Hello! some error : ~/Downloads/examples/EX02-3D_MgAl2O4_gulp$ uspex -r /home/kurban/anaconda3/envs/
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when update uspex python new version with latest python package?
Hello! some error : ~/Downloads/examples/EX02-3D_MgAl2O4_gulp$ uspex -r /home/kurban/anaconda3/envs/
Jul 1
kiha...@gmail.com
,
Ming-Hui Shang
2
Jun 24
How to restart VCNEB?
Hi, Have you got the VCNEB-restart computation resolved ? Thanks. On Wednesday, February 8, 2023 at 7
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How to restart VCNEB?
Hi, Have you got the VCNEB-restart computation resolved ? Thanks. On Wednesday, February 8, 2023 at 7
Jun 24
Roberto L. Iglesias Pastrana
,
Xuyan Shen
2
Jun 23
Error in running permutation similar to EX13
Hi Roberto, Do you find the solution for this? Any help would be very appreciated! Regards, Xuyan On
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Error in running permutation similar to EX13
Hi Roberto, Do you find the solution for this? Any help would be very appreciated! Regards, Xuyan On
Jun 23
Rahim Zaman
Jun 21
All Systems in Population Failed Relaxation Error
I am trying to use USPEX to predict the structure of an experimentally refined tetragonal unit cell
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All Systems in Population Failed Relaxation Error
I am trying to use USPEX to predict the structure of an experimentally refined tetragonal unit cell
Jun 21
Natalia Koval
,
Xuyan Shen
4
Jun 21
USPEX WARNING : Permutation : Failed to do Permutation in 50 attempts, switch to Random!
Dear Natalia, Thanks for your help. I actully know the idea to solve from your reply. And I has an
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USPEX WARNING : Permutation : Failed to do Permutation in 50 attempts, switch to Random!
Dear Natalia, Thanks for your help. I actully know the idea to solve from your reply. And I has an
Jun 21
Xavier Bidault
, …
Xuyan Shen
12
Jun 19
USPEX 10.5: issue with @INCLUDE 'subsys.uspex' in CP2K
Hi Xavier, I met a smae problem with you. Could you please tell me what happened after that and how
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USPEX 10.5: issue with @INCLUDE 'subsys.uspex' in CP2K
Hi Xavier, I met a smae problem with you. Could you please tell me what happened after that and how
Jun 19
向前
Jun 13
USPEX 2022 Seeds error
Dear USPEX users and developers, I am trying to use 200 methods to search surface structure. Seeds
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USPEX 2022 Seeds error
Dear USPEX users and developers, I am trying to use 200 methods to search surface structure. Seeds
Jun 13
Alejandro Bautista
,
Xuyan Shen
2
Jun 11
USPEX + ORCA
Hi Alex, Do you now know how to prepare the INPUT of ORAC using USPEX? appreciate you. Regards, Xuyan
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USPEX + ORCA
Hi Alex, Do you now know how to prepare the INPUT of ORAC using USPEX? appreciate you. Regards, Xuyan
Jun 11
Xuyan Shen
Jun 7
How to use the interface with lammps, cp2k and ORCA?
Hi everyone, I have been studying USPEX lately but I met some question. What should be written in the
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How to use the interface with lammps, cp2k and ORCA?
Hi everyone, I have been studying USPEX lately but I met some question. What should be written in the
Jun 7
Lengai-i Narchug
Jun 5
Requesting help with USPEX error as many structures fail after relaxation
Dear USPEX users, I have been searching for 2d of AlSb phases using fixed composition calculations
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Requesting help with USPEX error as many structures fail after relaxation
Dear USPEX users, I have been searching for 2d of AlSb phases using fixed composition calculations
Jun 5
Lengai-i Narchug
Jun 5
Requesting help with USPEX error as many structures failed after relaxation
Dear USPEX users, I have been searching for 2d of AlSb phases using fixed composition calculations
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Requesting help with USPEX error as many structures failed after relaxation
Dear USPEX users, I have been searching for 2d of AlSb phases using fixed composition calculations
Jun 5
Genene Shiferaw
Jun 4
Installation on Cluster
I try to find the installation of USPEX on cluster computer, I couldn't get it. How to install
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Installation on Cluster
I try to find the installation of USPEX on cluster computer, I couldn't get it. How to install
Jun 4
Kun Wang
May 24
Running error
Hi everyone, I am trying to install USPEX. When the installation process was done, I tested it using
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Running error
Hi everyone, I am trying to install USPEX. When the installation process was done, I tested it using
May 24
Rahim Zaman
,
Daniel Poletaev
4
May 24
ParseError on running USPEX
Found that I was missing quotes in the header and that each vasp run has to be separately defined as
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ParseError on running USPEX
Found that I was missing quotes in the header and that each vasp run has to be separately defined as
May 24
dc...@snu.edu.in
,
GAUTAM SHARMA
2
May 23
Problem in using Antiseed technique
I have the same issue. How did you fix the issue? Does it even print in the log file or we are
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Problem in using Antiseed technique
I have the same issue. How did you fix the issue? Does it even print in the log file or we are
May 23
Rahim Zaman
May 17
Format of SplitInto Tag
Hi, I am trying to predict large cells (>100 atoms) and noticed that the manual says that the
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Format of SplitInto Tag
Hi, I am trying to predict large cells (>100 atoms) and noticed that the manual says that the
May 17
อัยยรัช อุ่นฤทธิ์
,
Andres Gonzalez
2
May 9
Error USPEX v10.5
pip install numpy or pip3 install numpy pip instal scipy or pip3 install scipy On Sunday, April 7,
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Error USPEX v10.5
pip install numpy or pip3 install numpy pip instal scipy or pip3 install scipy On Sunday, April 7,
May 9
Lengai-i Narchug
,
Andres Gonzalez
2
May 9
PROBLEM WITH distutils package and error in running example36
Dear USPEX, I have the same problem. Distutils.core is obsolete. Error line 91 and line 32 ----------
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PROBLEM WITH distutils package and error in running example36
Dear USPEX, I have the same problem. Distutils.core is obsolete. Error line 91 and line 32 ----------
May 9
Ming-Hui Shang
May 7
Error occurred when running USPEX10.5 with VASP for genralized meta-dynamics computation
Dear all Recently, i installed USPEX-v10.5 by runing install.sh combined MATLAB runtime R2016b.
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Error occurred when running USPEX10.5 with VASP for genralized meta-dynamics computation
Dear all Recently, i installed USPEX-v10.5 by runing install.sh combined MATLAB runtime R2016b.
May 7
Zubair Nabi
,
ARIJIT SAHA
2
May 3
Issue with USPEX Calculation: Request for Assistance
I am facing the same complication, Have you got any solution? On Friday 5 April 2024 at 01:23:26 UTC+
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Issue with USPEX Calculation: Request for Assistance
I am facing the same complication, Have you got any solution? On Friday 5 April 2024 at 01:23:26 UTC+
May 3
Xiaof Yuan
Apr 24
Error in installation on super server.
Hello! I want to install this software in super server. Everyone has his own account here.When I
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Error in installation on super server.
Hello! I want to install this software in super server. Everyone has his own account here.When I
Apr 24
Tyler Dolezal
3
Apr 21
Failed to install Python USPEX 23.0.3 on Windows Subsystem for Linux
I was able to get this solved my setting up a Python 3.9 environment through Conda. On Saturday,
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Failed to install Python USPEX 23.0.3 on Windows Subsystem for Linux
I was able to get this solved my setting up a Python 3.9 environment through Conda. On Saturday,
Apr 21
chao zhou
,
藍非藍
2
Apr 16
ModuleNotFoundError: No module named 'randomTopology'
You set fracTopRand to zero to turn off structure generated by randomTopology. On Wednesday, March 20
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ModuleNotFoundError: No module named 'randomTopology'
You set fracTopRand to zero to turn off structure generated by randomTopology. On Wednesday, March 20
Apr 16
James Liu (QuantumMisaka)
, …
团山通讯
4
Apr 1
Is there any easily accessed groups in China?
QQ: 101206093. 在2023年11月4日星期六 UTC+8 16:53:32<gemini...@gmail.com> 写道: 请问下大佬有找到组织么 在2023年9月13日星期
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Is there any easily accessed groups in China?
QQ: 101206093. 在2023年11月4日星期六 UTC+8 16:53:32<gemini...@gmail.com> 写道: 请问下大佬有找到组织么 在2023年9月13日星期
Apr 1
Sweat Dream
Mar 26
Questions about variable composition calculation
"When using USPEX 10.5 for variable composition calculations, how can one control the
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Questions about variable composition calculation
"When using USPEX 10.5 for variable composition calculations, how can one control the
Mar 26