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General Questions and Answers / Re: help explaining the physical meaning of these words
« on: May 23, 2010, 10:36 »
Guy,why don't you ask zhoulp?
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Gallery / Re: Voltage drop calculated with ATK-SE 2010.02
« on: May 15, 2010, 16:38 »
Beautiful pictures! Which tool did you use to plot?
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Future Releases / Re: What is your Linux distribution?
« on: May 15, 2010, 16:30 »
Archlinux, just swithed from fedora10.
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Installation and License Questions / Re: Failed to run VNL
« on: May 12, 2010, 14:29 »
Thanks.I'll give it a try.
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Installation and License Questions / Re: Failed to run VNL
« on: May 12, 2010, 14:12 »
Maybe,but I like... Haven't tried 2010.02 yet. Is there a newer VNL inside 2010.02? I need vnl to view my stuctures.
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Installation and License Questions / Re: Failed to run VNL
« on: May 12, 2010, 13:34 »
I'm running Archlinux
uname -a :
Linux eagle 2.6.33-ARCH #1 SMP PREEMPT Mon Apr 26 19:31:00 CEST 2010 x86_64 Intel(R) Pentium(R) Dual CPU T2390 @ 1.86GHz GenuineIntel GNU/Linux
Yes I know. When I run vnl directly,the same error occur:"/opt/vnl-2008.10.0/bin/vnl: line 3: /opt/vnl-2008.10.0/bin/vnl_exec: No such file or directory".
By the way, all the executable file in path_to_vnl/bin/ include "assistant,lmhostid ,lmutil " behave the same. But files in path_to_vnl/atk/bin/ can be executed correctly.
So werid.....
uname -a :
Linux eagle 2.6.33-ARCH #1 SMP PREEMPT Mon Apr 26 19:31:00 CEST 2010 x86_64 Intel(R) Pentium(R) Dual CPU T2390 @ 1.86GHz GenuineIntel GNU/Linux
Yes I know. When I run vnl directly,the same error occur:"/opt/vnl-2008.10.0/bin/vnl: line 3: /opt/vnl-2008.10.0/bin/vnl_exec: No such file or directory".
By the way, all the executable file in path_to_vnl/bin/ include "assistant,lmhostid ,lmutil " behave the same. But files in path_to_vnl/atk/bin/ can be executed correctly.
So werid.....
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Installation and License Questions / Re: Failed to run VNL
« on: May 12, 2010, 10:58 »
Anders Blom:
It does have! Here is what the output of ls -l ,file and ldd:
ls -l:
-rwxr-xr-x 1 hk hk 3338377 Nov 28 2008 vnl_exec
file vnl_exec:
vnl_exec: ELF 32-bit LSB executable, Intel 80386, version 1 (SYSV), dynamically linked (uses shared libs), for GNU/Linux 2.6.9, not stripped
ldd vnl_exec:
not a dynamic executable
Well file says it is 32-bit executable , and what's worse , ldd says it's even not executable
It does have! Here is what the output of ls -l ,file and ldd:
ls -l:
-rwxr-xr-x 1 hk hk 3338377 Nov 28 2008 vnl_exec
file vnl_exec:
vnl_exec: ELF 32-bit LSB executable, Intel 80386, version 1 (SYSV), dynamically linked (uses shared libs), for GNU/Linux 2.6.9, not stripped
ldd vnl_exec:
not a dynamic executable
Well file says it is 32-bit executable , and what's worse , ldd says it's even not executable
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Installation and License Questions / Failed to run VNL
« on: May 12, 2010, 08:50 »
hi,
I have a x86_64 version archlinux installed,and I have downloaded the x86_64 version of VNL. After extract the package,and run using "./vnl" in the bin directory. It gives me "No such file or directory"! What's wrong?
I have a x86_64 version archlinux installed,and I have downloaded the x86_64 version of VNL. After extract the package,and run using "./vnl" in the bin directory. It gives me "No such file or directory"! What's wrong?
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General Questions and Answers / Re: Very werid problem!
« on: May 11, 2010, 03:27 »
Well, I don't think we can tell the right-hand unit-cell from the left-hand in reality (even I don't know how to create the difference between them in lab).
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General Questions and Answers / Very werid problem!
« on: May 10, 2010, 08:40 »
Hi all. I encountered the problem when I was doing some calculations on two probe system of graphene.Then to be simple,I take an experiment on Lih2Li system.Below is the description of the problem:
There are two scripts in the attachment which are copyed from the ATK manual , the ONLY difference between them is in the "unit_cell"(I reverse the order of A and B vertor). Since it's symmetrical between A and B,I don't think it'll make any difference. But the results differs by a mile!
For lih2li-setup-1.py : the current is 1.57e-05
For lih2li-setup-2.py : the current is 1.69e-12
Well ,How to explain ?
bwt: ATK 2008.02.0 Linux-i686 build 13600 2008-03-03
There are two scripts in the attachment which are copyed from the ATK manual , the ONLY difference between them is in the "unit_cell"(I reverse the order of A and B vertor). Since it's symmetrical between A and B,I don't think it'll make any difference. But the results differs by a mile!
For lih2li-setup-1.py : the current is 1.57e-05
For lih2li-setup-2.py : the current is 1.69e-12
Well ,How to explain ?
bwt: ATK 2008.02.0 Linux-i686 build 13600 2008-03-03
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General Questions and Answers / Re: What does this error mean?
« on: March 19, 2010, 15:34 »
Thx all. I've fixed the problem by modifying the lattice constant.
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General Questions and Answers / What does this error mean?
« on: March 15, 2010, 14:25 »
Hello,
I got some lines of this error:"# Pulay mixing inversion failed. Using only last step.",when I was calculating the bias of a two probe system with one electrode C and the other Li.
What does it mean? Then does the result I got reliable?
Thanks!
I got some lines of this error:"# Pulay mixing inversion failed. Using only last step.",when I was calculating the bias of a two probe system with one electrode C and the other Li.
What does it mean? Then does the result I got reliable?
Thanks!
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