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The influence of lib to total energy

Last post by admin « Sat Jul 21, 2007 4:45 pm
Replies: 1
by lanjh » Fri Jul 20, 2007 8:42 am

1 Replies

9297 Views

Last post by admin
Sat Jul 21, 2007 4:45 pm
how can add the dipole layer,thanks

Last post by dengfenglicqupt « Thu Jul 19, 2007 2:06 pm
Replies: 3
by dengfenglicqupt » Mon Jul 09, 2007 3:17 am

3 Replies

12370 Views

Last post by dengfenglicqupt
Thu Jul 19, 2007 2:06 pm
ISPIN / ISPIND tag

Last post by admin « Sun Jul 08, 2007 7:40 pm
Replies: 1
by edouard » Fri Jul 06, 2007 8:53 am

1 Replies

11274 Views

Last post by admin
Sun Jul 08, 2007 7:40 pm
help to solve P4-error for vasp question

Last post by admin « Mon Jul 02, 2007 8:12 am
Replies: 3
by bendix » Sun Jun 24, 2007 9:53 am

3 Replies

13740 Views

Last post by admin
Mon Jul 02, 2007 8:12 am
Frequent problem

Last post by admin « Mon Jul 02, 2007 6:13 am
Replies: 1
by midair77 » Thu Jun 28, 2007 10:30 pm

1 Replies

9742 Views

Last post by admin
Mon Jul 02, 2007 6:13 am
How I mention different atomic species in INCAR and POSCAR?

Last post by admin « Fri Jun 22, 2007 12:10 pm
Replies: 2
by aniket » Fri Jun 22, 2007 8:15 am

2 Replies

10349 Views

Last post by admin
Fri Jun 22, 2007 12:10 pm
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

12300 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

11123 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

16088 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

8353 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

10152 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

12857 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

8391 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

23289 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

14299 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

12105 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

10051 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

8669 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

12179 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

9869 Views

Last post by admin
Mon Apr 16, 2007 11:28 am

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