Using VASP

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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

5319 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

1483 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

1491 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

1377 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

7648 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

1616 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

2972 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

1292 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

2815 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

1594 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

3074 Views

Last post by Vahid Askarpour
Sun Jan 16, 2011 1:27 pm
ismear=-5 in one-dimensional system

Last post by huangpengru « Thu Jan 13, 2011 6:12 pm
Replies: 1
by xinhuanwen » Fri Jan 07, 2011 1:04 am

1 Replies

1582 Views

Last post by huangpengru
Thu Jan 13, 2011 6:12 pm
Selective dynamics in phonon calculation

Last post by alex « Tue Jan 11, 2011 3:02 pm
Replies: 1
by njuxyh » Tue Jan 11, 2011 8:38 am

1 Replies

1596 Views

Last post by alex
Tue Jan 11, 2011 3:02 pm
A question always puzzle me .What's the matter?

Last post by alex « Tue Jan 11, 2011 7:46 am
Replies: 1
by VASP001 » Mon Jan 10, 2011 10:13 am

1 Replies

1633 Views

Last post by alex
Tue Jan 11, 2011 7:46 am
inversion symmetry of k-points

Last post by sharma « Tue Jan 11, 2011 3:32 am
Replies: 1
by neo » Sat Sep 25, 2010 5:28 pm

1 Replies

2134 Views

Last post by sharma
Tue Jan 11, 2011 3:32 am
Band structure using HSE functional

Last post by zoowe « Sat Jan 08, 2011 6:37 pm
Replies: 1
by vidyar » Wed Jan 05, 2011 10:06 am

1 Replies

2429 Views

Last post by zoowe
Sat Jan 08, 2011 6:37 pm
DOSCAR with Efield

Last post by yuxiao_zihan « Fri Jan 07, 2011 11:06 pm
Replies: 1
by yuxiao_zihan » Mon Jan 03, 2011 5:27 pm

1 Replies

1234 Views

Last post by yuxiao_zihan
Fri Jan 07, 2011 11:06 pm
Basis set for Curium (Cm)

Last post by Robert « Thu Jan 06, 2011 11:00 am
Replies: 2
by Robert » Tue Dec 21, 2010 9:25 am

2 Replies

1179 Views

Last post by Robert
Thu Jan 06, 2011 11:00 am
Core-level shifts - frozen or relaxed core

Last post by alex « Thu Jan 06, 2011 10:38 am
Replies: 3
by Wasabi » Tue Jan 04, 2011 4:57 pm

3 Replies

2397 Views

Last post by alex
Thu Jan 06, 2011 10:38 am
spin-separate calculation

Last post by superyoyo « Thu Jan 06, 2011 7:07 am
Replies: 2
by Kertick » Mon Mar 06, 2006 12:38 am

2 Replies

2227 Views

Last post by superyoyo
Thu Jan 06, 2011 7:07 am

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