Using VASP

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Pulay/Broyden mixing

Last post by admin « Fri Feb 04, 2011 3:35 pm
Replies: 1
by hannathamleena » Fri Jan 14, 2011 3:31 am

1 Replies

3425 Views

Last post by admin
Fri Feb 04, 2011 3:35 pm
NPAR and NSIM affecting the stress tensor

Last post by admin « Fri Feb 04, 2011 3:22 pm
Replies: 1
by tomic » Tue Feb 01, 2011 12:10 am

1 Replies

2968 Views

Last post by admin
Fri Feb 04, 2011 3:22 pm
DOS run warning to be worried or not?

Last post by admin « Fri Feb 04, 2011 3:16 pm
Replies: 1
by sankh » Tue Feb 01, 2011 1:29 am

1 Replies

3622 Views

Last post by admin
Fri Feb 04, 2011 3:16 pm
PREC=High Setting

Last post by Micah « Fri Feb 04, 2011 4:57 am
Replies: 3
by Micah » Thu Feb 03, 2011 3:04 am

3 Replies

3740 Views

Last post by Micah
Fri Feb 04, 2011 4:57 am
writing OUTCAR problem

Last post by alex « Thu Feb 03, 2011 8:12 am
Replies: 1
by leostorm10 » Thu Feb 03, 2011 6:02 am

1 Replies

3727 Views

Last post by alex
Thu Feb 03, 2011 8:12 am
defining a cons

Last post by admin « Wed Feb 02, 2011 1:44 pm
Replies: 1
by kambiz » Tue Feb 01, 2011 3:39 am

1 Replies

2592 Views

Last post by admin
Wed Feb 02, 2011 1:44 pm
Bandstructure problem

Last post by neo « Wed Feb 02, 2011 4:04 am
Replies: 3
by neo » Wed Oct 13, 2010 4:29 am

3 Replies

4750 Views

Last post by neo
Wed Feb 02, 2011 4:04 am
Bandstructure Problem vasp5.2

Last post by neo « Wed Feb 02, 2011 3:38 am
Replies: 2
by neo » Fri Jan 28, 2011 6:06 pm

2 Replies

3376 Views

Last post by neo
Wed Feb 02, 2011 3:38 am
obtaining hamiltonian matrix

Last post by admin « Mon Jan 31, 2011 3:06 pm
Replies: 3
by edurgun » Sun Oct 23, 2005 9:46 pm

3 Replies

5210 Views

Last post by admin
Mon Jan 31, 2011 3:06 pm
hi

Last post by admin « Mon Jan 31, 2011 2:52 pm
Replies: 12
by hpaudel » Sun May 09, 2010 5:15 pm

12 Replies

13071 Views

Last post by admin
Mon Jan 31, 2011 2:52 pm
EIGENVAL not matching KPOINTS

Last post by admin « Mon Jan 31, 2011 2:37 pm
Replies: 1
by lyon0100 » Mon Jan 31, 2011 6:44 am

1 Replies

3127 Views

Last post by admin
Mon Jan 31, 2011 2:37 pm
What PAW pseudopotentials for AM05 functionals?

Last post by admin « Mon Jan 31, 2011 2:08 pm
Replies: 1
by sankh » Mon Jan 31, 2011 12:48 pm

1 Replies

3068 Views

Last post by admin
Mon Jan 31, 2011 2:08 pm
Reading Output Magnetic Moments

Last post by kambiz « Mon Jan 31, 2011 4:32 am
Replies: 2
by kambiz » Thu Jan 20, 2011 5:57 am

2 Replies

3396 Views

Last post by kambiz
Mon Jan 31, 2011 4:32 am
problems with LDA+U

Last post by physicalattraction « Wed Jan 26, 2011 9:59 am
Replies: 6
by opvu » Tue Jun 20, 2006 5:41 am

6 Replies

12024 Views

Last post by physicalattraction
Wed Jan 26, 2011 9:59 am
Total Energy

Last post by alex « Mon Jan 24, 2011 7:18 am
Replies: 1
by kmkumar » Fri Jan 21, 2011 2:24 pm

1 Replies

3786 Views

Last post by alex
Mon Jan 24, 2011 7:18 am
POSCAR for alpha-quartz

Last post by tsemi « Thu Jan 20, 2011 7:45 pm
Replies: 5
by tsemi » Tue Aug 31, 2010 8:37 pm

5 Replies

6086 Views

Last post by tsemi
Thu Jan 20, 2011 7:45 pm
Dielectric constant

Last post by sankh « Wed Jan 19, 2011 9:16 am
Replies: 1
by surabhi_so_mh » Tue Jan 18, 2011 5:28 am

1 Replies

2971 Views

Last post by sankh
Wed Jan 19, 2011 9:16 am
HSE06 energy correction

Last post by sankh « Tue Jan 18, 2011 5:10 am
Replies: 1
by pramanikanup » Mon Dec 27, 2010 7:51 am

1 Replies

4901 Views

Last post by sankh
Tue Jan 18, 2011 5:10 am
How to specify hcp cell of three-component system in wien2k?

Last post by Moonrain « Mon Jan 17, 2011 10:26 am
Replies: 4
by Moonrain » Tue Jan 11, 2011 10:27 am

4 Replies

4666 Views

Last post by Moonrain
Mon Jan 17, 2011 10:26 am
GW0 and GW with vasp5.2.2

Last post by Vahid Askarpour « Sun Jan 16, 2011 1:27 pm
Replies: 2
by Vahid Askarpour » Mon Jan 10, 2011 1:09 am

2 Replies

5326 Views

Last post by Vahid Askarpour
Sun Jan 16, 2011 1:27 pm

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