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홍성은
,
Ali Chahine
2
Jan 31
Regarding the structure optimization problem of Li3AlS3
The data of the optimized structures can be found in Calcfold1 ... in this file OUTPUT.txt only data
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Regarding the structure optimization problem of Li3AlS3
The data of the optimized structures can be found in Calcfold1 ... in this file OUTPUT.txt only data
Jan 31
Михаил Вережак
,
홍성은
2
Jan 31
Errors in example 4
I am experiencing the same issue. Did you manage to resolve the problem? 2020년 8월 8일 토요일 오전 5시 54분 3초
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Errors in example 4
I am experiencing the same issue. Did you manage to resolve the problem? 2020년 8월 8일 토요일 오전 5시 54분 3초
Jan 31
Mehmet Dogan
, …
sourav guha
7
Jan 28
Activation energy increases at each step of VCNEB calculation
Hello, Did you manage to resolve the issue with high energy barrier? My calculations shows a
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Activation energy increases at each step of VCNEB calculation
Hello, Did you manage to resolve the issue with high energy barrier? My calculations shows a
Jan 28
sourav guha
Jan 28
VCNEB energy increases suddenly after about 60 steps
Hello, I have used pmpaths.py to generate the trajectory between my endpoints, however, the enrgy
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VCNEB energy increases suddenly after about 60 steps
Hello, I have used pmpaths.py to generate the trajectory between my endpoints, however, the enrgy
Jan 28
kiha...@gmail.com
, …
sourav guha
3
Jan 27
How to restart VCNEB?
Hello, Did you find the right tags to include to restart a VCNEB calculation? Thanks On Monday, June
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How to restart VCNEB?
Hello, Did you find the right tags to include to restart a VCNEB calculation? Thanks On Monday, June
Jan 27
Sayaka
11/20/24
Installation for M2 Mac
I am trying to install USPEX in M2 Mac. But currently, it seems that USPEX is available only for
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Installation for M2 Mac
I am trying to install USPEX in M2 Mac. But currently, it seems that USPEX is available only for
11/20/24
Ali Chahine (ALI CHAHINE)
10/24/24
310 calculations
i'm using USPEX TO predict structures starting from a molecule. it runs the crystal predicition
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310 calculations
i'm using USPEX TO predict structures starting from a molecule. it runs the crystal predicition
10/24/24
Ashley Sutton
9/25/24
USPEX & Metal-organic framework (MOF) crystal structure prediction?
Hi, I am looking into in USPEX for Metal-organic framework (MOF) crystal structure prediction. Is
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USPEX & Metal-organic framework (MOF) crystal structure prediction?
Hi, I am looking into in USPEX for Metal-organic framework (MOF) crystal structure prediction. Is
9/25/24
sohanlal dewasi
9/24/24
regarding ex 33 slow calcualtion
so i have run the example 33 in uspex 10.5 with cluster 1 and it ran into issues with listed error /
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regarding ex 33 slow calcualtion
so i have run the example 33 in uspex 10.5 with cluster 1 and it ran into issues with listed error /
9/24/24
Xavier Bidault
, …
zujia lu
13
9/19/24
USPEX 10.5: issue with @INCLUDE 'subsys.uspex' in CP2K
Yes, I have also encountered a similar problem, but my situation is even stranger. When I failed to
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USPEX 10.5: issue with @INCLUDE 'subsys.uspex' in CP2K
Yes, I have also encountered a similar problem, but my situation is even stranger. When I failed to
9/19/24
Suraj
9/12/24
Solution to "ModuleNotFoundError: No module named 'randomTopology''" in USPEX_v10.5
Hello, While running USPEX_v10.5, I encountered the following error: ModuleNotFoundError: No module
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Solution to "ModuleNotFoundError: No module named 'randomTopology''" in USPEX_v10.5
Hello, While running USPEX_v10.5, I encountered the following error: ModuleNotFoundError: No module
9/12/24
Александр Земляков
9/7/24
Deleted videotutorials
Hello, videotutorials on the USPEX website in the USPEX Documentation section are unavailable because
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Deleted videotutorials
Hello, videotutorials on the USPEX website in the USPEX Documentation section are unavailable because
9/7/24
Feng Zimin 冯子民
,
宋易航
2
9/3/24
bug with 10.3?
I'm having the same issue,Pls have you solved this problem? 在2019年6月21日星期五 UTC+8 06:06:01<Feng
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bug with 10.3?
I'm having the same issue,Pls have you solved this problem? 在2019年6月21日星期五 UTC+8 06:06:01<Feng
9/3/24
ELIE ALBERT MOUJAESS
,
jfhwhj h
2
9/3/24
problems running USPEX
Dear all I am a newbie to USPEX. I was able to install USPEX_v10.5. I have also created a conda
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problems running USPEX
Dear all I am a newbie to USPEX. I was able to install USPEX_v10.5. I have also created a conda
9/3/24
김성수
9/3/24
Error in official site / Help for installation
Hello, I am trying to download the USPEX but the official sites seems down. Is there any way to use
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Error in official site / Help for installation
Hello, I am trying to download the USPEX but the official sites seems down. Is there any way to use
9/3/24
Teeraphat Watcharatharapong
8/26/24
Error when using Seed (USPEX2023)
Hello, I have tried to perform 2D structure searching with Seed technique in USPEX2023.0.3 but the
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Error when using Seed (USPEX2023)
Hello, I have tried to perform 2D structure searching with Seed technique in USPEX2023.0.3 but the
8/26/24
Roman Savinov
8/25/24
Output argument "X" (and maybe others) not assigned during call to "Get_XY".
Hello, I am running the calculationType=301 to simulate quinary V-Cr-Fe-Ni-Cu high entropy alloy on
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Output argument "X" (and maybe others) not assigned during call to "Get_XY".
Hello, I am running the calculationType=301 to simulate quinary V-Cr-Fe-Ni-Cu high entropy alloy on
8/25/24
zb.n...@gmail.com
,
Sourav Guha
2
8/24/24
surface calculations
I am having the same error suddenly, before it was working fine. On Saturday, August 27, 2016 at 1:35
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surface calculations
I am having the same error suddenly, before it was working fine. On Saturday, August 27, 2016 at 1:35
8/24/24
Kurban Magomedov
,
hicham oughidni
5
8/22/24
Which version latest, better and stable
yes, I installed the matlab version, and was even able to run gulp, but for some reason scripts with
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Which version latest, better and stable
yes, I installed the matlab version, and was even able to run gulp, but for some reason scripts with
8/22/24
Genene Shiferaw
,
Daniil Poletaev
2
8/15/24
Installation on Cluster
If you want to install a python version of uspex it is better to create a virtual environment,
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Installation on Cluster
If you want to install a python version of uspex it is better to create a virtual environment,
8/15/24
PRANAB GAIN
, …
Ivan Mershiev
5
8/15/24
/bin/bash: synclient: command not found
Hello! I have the same exact problem on Ubuntu 20.04 with USPEX v10.5 and Python 3.8. Were you able
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/bin/bash: synclient: command not found
Hello! I have the same exact problem on Ubuntu 20.04 with USPEX v10.5 and Python 3.8. Were you able
8/15/24
Renato Alves Pereira
8/2/24
libstdc++.so.6: version `GLIBCXX_3.4.21' and libstdc++.so.6: version `CXXABI_1.3.9' not found
Hi Guys! How to solve this? Thanks, Renato. Individual 27 @ step 1 is submitted /usr/local/vasp/vasp.
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libstdc++.so.6: version `GLIBCXX_3.4.21' and libstdc++.so.6: version `CXXABI_1.3.9' not found
Hi Guys! How to solve this? Thanks, Renato. Individual 27 @ step 1 is submitted /usr/local/vasp/vasp.
8/2/24
Renato Alves Pereira
8/2/24
Error using fprintf
Hi Guys! How to solve this? Thanks, Renato. Error using fprintf Invalid file identifier. Use fopen to
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Error using fprintf
Hi Guys! How to solve this? Thanks, Renato. Error using fprintf Invalid file identifier. Use fopen to
8/2/24
Renato Alves Pereira
8/2/24
Run USPEX on vasp_gam
Hi Guys! Has anyone already run USPEX on vasp_gam? Thanks. Renato.
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Run USPEX on vasp_gam
Hi Guys! Has anyone already run USPEX on vasp_gam? Thanks. Renato.
8/2/24
Sourav Guha
7/27/24
Trying to run EX31, but not moving to next generation
I am trying EX31 with very limited structures, still I am stuck at optimization finished step after
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Trying to run EX31, but not moving to next generation
I am trying EX31 with very limited structures, still I am stuck at optimization finished step after
7/27/24
Johannes Meusburger
,
Sourav Guha
3
7/26/24
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
7/26/24
Sourav Guha
7/26/24
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
7/26/24
Sourav Guha
7/24/24
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.
7/24/24
H.Benaissa
7/18/24
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
7/18/24
Renato Alves Pereira
7/10/24
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?
7/10/24