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Restarting from CHGCAR with PAW, in parallel gets wrong augmentation charge

Last post by admin « Wed May 16, 2007 2:38 pm
Replies: 1
by dtrinkle » Thu Jan 18, 2007 9:25 pm

1 Replies

13588 Views

Last post by admin
Wed May 16, 2007 2:38 pm
nonmagentic system gives different energy when doing spin polarized calculations.

Last post by jhouze « Wed May 09, 2007 10:49 pm
Replies: 2
by jhouze » Tue May 01, 2007 8:35 pm

2 Replies

11586 Views

Last post by jhouze
Wed May 09, 2007 10:49 pm
GGA psudopentent problems of the atom?

Last post by admin « Thu Apr 19, 2007 10:03 am
Replies: 1
by kevin » Thu Apr 19, 2007 6:55 am

1 Replies

10013 Views

Last post by admin
Thu Apr 19, 2007 10:03 am
p4_error: interrupt SIGSEGV

Last post by admin « Tue Apr 17, 2007 12:13 pm
Replies: 1
by ag9xc » Mon Apr 16, 2007 9:03 pm

1 Replies

13525 Views

Last post by admin
Tue Apr 17, 2007 12:13 pm
Problem to calculate ELFCAR!

Last post by admin « Mon Apr 16, 2007 11:28 am
Replies: 1
by slavik » Thu Apr 12, 2007 8:37 pm

1 Replies

11384 Views

Last post by admin
Mon Apr 16, 2007 11:28 am
makefile.linux_ifc_P4: error with -e95 flag.

Last post by admin « Thu Apr 12, 2007 10:42 am
Replies: 1
by lahaye » Thu Apr 12, 2007 5:14 am

1 Replies

10639 Views

Last post by admin
Thu Apr 12, 2007 10:42 am
vtotav

Last post by admin « Thu Apr 05, 2007 2:23 pm
Replies: 1
by simly » Tue Apr 03, 2007 8:48 am

1 Replies

13543 Views

Last post by admin
Thu Apr 05, 2007 2:23 pm
problem reading PBE(?) POTCAR files

Last post by admin « Wed Mar 14, 2007 2:49 pm
Replies: 3
by dfcox » Wed Mar 07, 2007 6:11 pm

3 Replies

18277 Views

Last post by admin
Wed Mar 14, 2007 2:49 pm
sc-based k-point mesh for bcc compounds

Last post by admin « Mon Mar 05, 2007 4:17 pm
Replies: 2
by alexdiazortiz » Tue Feb 27, 2007 2:15 pm

2 Replies

17219 Views

Last post by admin
Mon Mar 05, 2007 4:17 pm
what is "Error encountered while attempting to allocate a data object."?

Last post by admin « Mon Mar 05, 2007 4:14 pm
Replies: 1
by lanli » Mon Feb 26, 2007 7:39 pm

1 Replies

11691 Views

Last post by admin
Mon Mar 05, 2007 4:14 pm
Moments Disappear in Some Constrained Calculations

Last post by admin « Mon Feb 12, 2007 12:39 pm
Replies: 1
by HSims » Thu Feb 01, 2007 4:10 pm

1 Replies

11281 Views

Last post by admin
Mon Feb 12, 2007 12:39 pm
SIGSEGV, segmentation fault

Last post by admin « Tue Jan 30, 2007 4:29 pm
Replies: 4
by rudy.coquet » Tue Feb 14, 2006 4:19 am

4 Replies

26556 Views

Last post by admin
Tue Jan 30, 2007 4:29 pm
Monkhorst pack vs gamma centred

Last post by job « Mon Jan 22, 2007 7:23 am
Replies: 5
by simly » Thu Jan 04, 2007 5:02 am

5 Replies

40061 Views

Last post by job
Mon Jan 22, 2007 7:23 am
DSP or FPGA

Last post by job « Mon Jan 22, 2007 7:13 am
Replies: 2
by jbn » Fri Jan 12, 2007 12:36 am

2 Replies

13317 Views

Last post by job
Mon Jan 22, 2007 7:13 am
OUTPOS error

Last post by graeme « Tue Jan 16, 2007 5:31 pm
Replies: 2
by graeme » Sun Jan 14, 2007 7:08 am

2 Replies

13825 Views

Last post by graeme
Tue Jan 16, 2007 5:31 pm
problem with the system size

Last post by admin « Thu Jan 04, 2007 3:37 pm
Replies: 1
by lymperakis » Sat Dec 30, 2006 11:43 am

1 Replies

12457 Views

Last post by admin
Thu Jan 04, 2007 3:37 pm
bandstructure of Si

Last post by admin « Fri Dec 29, 2006 1:22 pm
Replies: 1
by simly » Fri Dec 29, 2006 8:46 am

1 Replies

15974 Views

Last post by admin
Fri Dec 29, 2006 1:22 pm
Noise in LOCPOT

Last post by admin « Wed Dec 27, 2006 11:02 am
Replies: 1
by tlchan » Wed Dec 20, 2006 4:04 pm

1 Replies

12212 Views

Last post by admin
Wed Dec 27, 2006 11:02 am
how to plot bandstrcutures along symetries directions

Last post by admin « Tue Dec 12, 2006 1:36 pm
Replies: 3
by magnones » Fri Dec 08, 2006 6:00 am

3 Replies

17994 Views

Last post by admin
Tue Dec 12, 2006 1:36 pm
Msg: "hit a member that was already found in another star"

Last post by jzzhao « Tue Dec 12, 2006 2:04 am
Replies: 6
by user » Wed Mar 23, 2005 10:25 pm

6 Replies

32919 Views

Last post by jzzhao
Tue Dec 12, 2006 2:04 am

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