Using VASP

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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

1188 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

2411 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

2240 Views

Last post by superyoyo
Thu Jan 06, 2011 7:07 am
How to calculate the ionic dielectric constants?

Last post by zhongshanluo « Thu Jan 06, 2011 3:38 am
Replies: 1
by zhongshanluo » Mon Nov 29, 2010 4:13 am

1 Replies

1064 Views

Last post by zhongshanluo
Thu Jan 06, 2011 3:38 am
Continuation of a line in INCAR

Last post by forsdan « Wed Jan 05, 2011 7:55 pm
Replies: 1
by leostorm10 » Tue Jan 04, 2011 7:23 am

1 Replies

1710 Views

Last post by forsdan
Wed Jan 05, 2011 7:55 pm
EFIELD and problem with convergence

Last post by spakinfo « Thu Dec 30, 2010 6:18 pm
Replies: 2
by spakinfo » Wed Dec 15, 2010 8:38 pm

2 Replies

2467 Views

Last post by spakinfo
Thu Dec 30, 2010 6:18 pm
scalar relativistic calculation

Last post by admin « Thu Dec 30, 2010 1:41 pm
Replies: 1
by torehan » Thu Dec 16, 2010 11:56 pm

1 Replies

1529 Views

Last post by admin
Thu Dec 30, 2010 1:41 pm
The meaning of the relative location of the Fermi energy.

Last post by admin « Thu Dec 30, 2010 1:25 pm
Replies: 3
by cyc99 » Mon Nov 15, 2010 4:55 am

3 Replies

2182 Views

Last post by admin
Thu Dec 30, 2010 1:25 pm
what dose â€˜tagâ€™ mean，behinding the parameters of INCAR file

Last post by Sonny « Tue Dec 28, 2010 11:39 am
Replies: 5
by dyc_2008 » Mon Oct 11, 2010 12:42 am

5 Replies

2387 Views

Last post by Sonny
Tue Dec 28, 2010 11:39 am
OUTCAR question

Last post by hansonr « Mon Dec 27, 2010 5:17 pm
Replies: 3
by hansonr » Thu Nov 04, 2010 6:23 pm

3 Replies

3037 Views

Last post by hansonr
Mon Dec 27, 2010 5:17 pm
Weights

Last post by admin « Mon Dec 27, 2010 4:26 pm
Replies: 1
by apple » Mon Nov 15, 2010 12:38 am

1 Replies

1302 Views

Last post by admin
Mon Dec 27, 2010 4:26 pm
FERWE syntax

Last post by admin « Mon Dec 27, 2010 4:14 pm
Replies: 1
by Oscar_rp » Tue Nov 16, 2010 12:50 pm

1 Replies

1378 Views

Last post by admin
Mon Dec 27, 2010 4:14 pm
ISMEAR problem in the case of slab model of metal oxide.

Last post by admin « Mon Dec 27, 2010 3:53 pm
Replies: 1
by cyc99 » Mon Nov 15, 2010 4:12 am

1 Replies

1669 Views

Last post by admin
Mon Dec 27, 2010 3:53 pm
Band Gap/Band Structure Calculations

Last post by sankh « Sun Dec 26, 2010 6:37 pm
Replies: 4
by tommy91779 » Tue Aug 26, 2008 3:17 pm

4 Replies

17915 Views

Last post by sankh
Sun Dec 26, 2010 6:37 pm
Why my calculations fail at 20th step

Last post by linpo « Sun Dec 26, 2010 6:33 pm
Replies: 1
by kmkumar » Wed Dec 22, 2010 9:31 am

1 Replies

1141 Views

Last post by linpo
Sun Dec 26, 2010 6:33 pm
band structure calculation using HSE

Last post by spakinfo « Mon Dec 20, 2010 3:01 am
Replies: 1
by haizi » Fri Dec 17, 2010 10:18 pm

1 Replies

2911 Views

Last post by spakinfo
Mon Dec 20, 2010 3:01 am
how to calculate EXX and correlation energy with RPA

Last post by zhuanghl « Fri Dec 17, 2010 7:41 am
Replies: 1
by yuxiao_zihan » Sun Sep 19, 2010 6:57 am

1 Replies

1716 Views

Last post by zhuanghl
Fri Dec 17, 2010 7:41 am
Problem about the softwares plops .

Last post by kirsten « Tue Dec 14, 2010 10:36 am
Replies: 4
by VASP001 » Mon Jun 07, 2010 1:37 am

4 Replies

3111 Views

Last post by kirsten
Tue Dec 14, 2010 10:36 am
PROCAR problem

Last post by physicalattraction « Tue Dec 14, 2010 8:19 am
Replies: 1
by liuhuimeiwoo » Tue Nov 23, 2010 3:02 am

1 Replies

2222 Views

Last post by physicalattraction
Tue Dec 14, 2010 8:19 am
How can we calculate Polarization and vibrational frequency using vasp?

Last post by metosa « Wed Dec 08, 2010 8:19 pm
Replies: 1
by Isha » Tue Dec 07, 2010 12:54 pm

1 Replies

1242 Views

Last post by metosa
Wed Dec 08, 2010 8:19 pm

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