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error running POTCAR for Au (PAW_GGA)

Last post by admin « Fri Jun 15, 2007 11:14 am
Replies: 3
by vdima » Fri Jun 08, 2007 4:44 pm

3 Replies

5996 Views

Last post by admin
Fri Jun 15, 2007 11:14 am
problem to get PARCHG of each band

Last post by yuxiao_zihan « Fri Jun 08, 2007 1:27 pm
Replies: 2
by yuxiao_zihan » Tue Jun 05, 2007 12:14 pm

2 Replies

5326 Views

Last post by yuxiao_zihan
Fri Jun 08, 2007 1:27 pm
Lattice vector definition in POSCAR

Last post by admin « Tue Jun 05, 2007 9:57 am
Replies: 3
by stern » Wed May 30, 2007 2:41 pm

3 Replies

8200 Views

Last post by admin
Tue Jun 05, 2007 9:57 am
Error running VASP for the benchmark.tar.gz input files

Last post by admin « Thu May 31, 2007 10:40 am
Replies: 1
by vasp » Wed May 30, 2007 2:10 pm

1 Replies

3935 Views

Last post by admin
Thu May 31, 2007 10:40 am
energy in case of spiral calculations

Last post by xianghjun « Tue May 29, 2007 6:53 pm
Replies: 1
by xianghjun » Sat May 26, 2007 8:13 pm

1 Replies

5596 Views

Last post by xianghjun
Tue May 29, 2007 6:53 pm
Questions about the "Adsorption"

Last post by admin « Fri May 25, 2007 12:03 pm
Replies: 3
by juniorway » Thu May 10, 2007 12:20 pm

3 Replies

6241 Views

Last post by admin
Fri May 25, 2007 12:03 pm
CoO orbital m. moments

Last post by admin « Fri May 25, 2007 11:58 am
Replies: 1
by zibi » Fri May 25, 2007 8:17 am

1 Replies

4088 Views

Last post by admin
Fri May 25, 2007 11:58 am
Compiler error in fft3dlib.f90

Last post by job « Wed May 23, 2007 1:15 pm
Replies: 7
by bendix » Mon Jan 08, 2007 2:41 am

7 Replies

11594 Views

Last post by job
Wed May 23, 2007 1:15 pm
Question about MAGMOM direction

Last post by admin « Fri May 18, 2007 11:20 am
Replies: 3
by chenweiguang » Thu Jul 06, 2006 1:41 pm

3 Replies

6917 Views

Last post by admin
Fri May 18, 2007 11:20 am
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

7208 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

4804 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

3988 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

7082 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

5137 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

4406 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

7178 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

8005 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

8456 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

4592 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

4334 Views

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

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