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Problems with Energy Convergence

Last post by cdt9f « Fri Aug 12, 2005 8:16 pm
Replies: 1
by cdt9f » Fri Aug 05, 2005 6:35 pm

1 Replies

20827 Views

Last post by cdt9f
Fri Aug 12, 2005 8:16 pm
What's wrong? Thanks.

Last post by admin « Tue Aug 09, 2005 10:55 am
Replies: 1
by whao » Sun Aug 07, 2005 4:03 pm

1 Replies

38617 Views

Last post by admin
Tue Aug 09, 2005 10:55 am
How do we fix the distance between two atoms ?

Last post by scerwin « Wed Jul 27, 2005 3:28 pm
Replies: 2
by anagaw » Sun Jul 17, 2005 9:43 pm

2 Replies

24490 Views

Last post by scerwin
Wed Jul 27, 2005 3:28 pm
I have a problem about PAW_GGA

Last post by Veronika « Mon Jul 25, 2005 6:30 am
Replies: 1
by zzzhong » Fri Jul 22, 2005 3:29 am

1 Replies

22552 Views

Last post by Veronika
Mon Jul 25, 2005 6:30 am
total moment on the cell and Hund's rule

Last post by admin « Wed Jul 13, 2005 9:48 am
Replies: 5
by brsahu » Thu Jul 07, 2005 8:06 pm

5 Replies

41575 Views

Last post by admin
Wed Jul 13, 2005 9:48 am
[color=green][b]Can VASP do GGA calculation using PAW generated based on LDA( LEXCH = CA)[/b][/colo

Last post by admin « Mon Jul 11, 2005 12:41 pm
Replies: 1
by lcyin » Wed Jul 06, 2005 6:20 am

1 Replies

25007 Views

Last post by admin
Mon Jul 11, 2005 12:41 pm
could somebody tell me what this error means?

Last post by admin « Mon Jul 11, 2005 11:51 am
Replies: 2
by cooki » Sun Jul 10, 2005 8:37 am

2 Replies

30632 Views

Last post by admin
Mon Jul 11, 2005 11:51 am
Does this warning matter?

Last post by admin « Fri Jul 08, 2005 9:34 am
Replies: 1
by lcyin » Wed Jul 06, 2005 6:22 am

1 Replies

29100 Views

Last post by admin
Fri Jul 08, 2005 9:34 am
system-shutdown automatically

Last post by admin « Tue Jun 21, 2005 12:53 pm
Replies: 1
by Tiger-paw » Wed Jun 15, 2005 1:12 pm

1 Replies

33043 Views

Last post by admin
Tue Jun 21, 2005 12:53 pm
What is the meaning of this error?

Last post by admin « Mon May 23, 2005 7:45 am
Replies: 1
by lcyin » Thu May 19, 2005 6:06 am

1 Replies

30849 Views

Last post by admin
Mon May 23, 2005 7:45 am
WAVECAR file is too large. What should we do?

Last post by user « Fri May 20, 2005 11:36 pm
Replies: 2
by user » Tue May 10, 2005 9:20 pm

2 Replies

36618 Views

Last post by user
Fri May 20, 2005 11:36 pm
VASP couldn't identify the symmetry of a large supercell correctly?

Last post by user « Tue May 10, 2005 9:00 pm
Replies: 3
by user » Tue May 03, 2005 12:01 am

3 Replies

45219 Views

Last post by user
Tue May 10, 2005 9:00 pm
C_3v point group

Last post by admin « Fri Apr 22, 2005 1:02 pm
Replies: 1
by uludogan » Sat Feb 12, 2005 12:30 am

1 Replies

38231 Views

Last post by admin
Fri Apr 22, 2005 1:02 pm
Problem calculating Nitrogen atom

Last post by admin « Fri Apr 22, 2005 12:57 pm
Replies: 1
by matlgen » Wed Apr 13, 2005 8:38 pm

1 Replies

45923 Views

Last post by admin
Fri Apr 22, 2005 12:57 pm
ERROR RSPHER

Last post by admin « Fri Apr 22, 2005 12:46 pm
Replies: 1
by eijck » Mon Apr 11, 2005 1:01 pm

1 Replies

39208 Views

Last post by admin
Fri Apr 22, 2005 12:46 pm
negative frequencies of optim. geometry

Last post by matlgen « Tue Apr 12, 2005 9:27 pm
Replies: 1
by eijck » Fri Oct 29, 2004 1:05 pm

1 Replies

39383 Views

Last post by matlgen
Tue Apr 12, 2005 9:27 pm
About the convergence problems in the course of energy correction for Ni, etc.

Last post by admin « Tue Jan 18, 2005 11:08 am
Replies: 1
by guest » Fri Nov 12, 2004 10:45 am

1 Replies

39317 Views

Last post by admin
Tue Jan 18, 2005 11:08 am

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