Using VASP

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DOS between two energy levels

Last post by Neutrino « Thu Jul 30, 2015 11:09 pm
Replies: 1
by karthik1124 » Tue Jul 28, 2015 2:45 am

1 Replies

3478 Views

Last post by Neutrino
Thu Jul 30, 2015 11:09 pm
band structure calculation

Last post by admin « Tue Jul 28, 2015 2:40 pm
Replies: 1
by luke419 » Thu Jul 16, 2015 3:44 am

1 Replies

3351 Views

Last post by admin
Tue Jul 28, 2015 2:40 pm
EXX energy dependence on Vacuum layer/k-points

Last post by juhL « Mon Jul 27, 2015 8:27 pm
Replies: 2
by juhL » Thu Jul 23, 2015 9:57 am

2 Replies

3179 Views

Last post by juhL
Mon Jul 27, 2015 8:27 pm
Molecular Modelling

Last post by Neutrino « Mon Jul 27, 2015 5:41 pm
Replies: 1
by obanks » Thu Jul 23, 2015 7:43 pm

1 Replies

2399 Views

Last post by Neutrino
Mon Jul 27, 2015 5:41 pm
Lattice vectors IN OUTCAR File

Last post by Iyyapparajan « Mon Jul 27, 2015 5:02 pm
Replies: 4
by Iyyapparajan » Fri Jul 10, 2015 7:53 am

4 Replies

8470 Views

Last post by Iyyapparajan
Mon Jul 27, 2015 5:02 pm
Pt pseudopotential

Last post by alex « Mon Jul 27, 2015 10:32 am
Replies: 1
by chelman » Fri Jul 24, 2015 10:54 pm

1 Replies

2532 Views

Last post by alex
Mon Jul 27, 2015 10:32 am
Compulation of plane averaged eletrostatic potential

Last post by sunncepu « Mon Jul 27, 2015 9:10 am
Replies: 3
by sunncepu » Sun Jul 12, 2015 5:40 am

3 Replies

5800 Views

Last post by sunncepu
Mon Jul 27, 2015 9:10 am
FERMI SURFACE plotting in VASP

Last post by tomic « Fri Jul 24, 2015 4:34 pm
Replies: 2
by Hrishit Banerjee » Wed Jun 17, 2015 1:43 pm

2 Replies

9143 Views

Last post by tomic
Fri Jul 24, 2015 4:34 pm
LOCPOT from G0W0

Last post by admin « Thu Jul 23, 2015 11:45 am
Replies: 1
by nitinkr » Sun Jun 28, 2015 5:01 pm

1 Replies

2761 Views

Last post by admin
Thu Jul 23, 2015 11:45 am
Error in relaxation

Last post by admin « Wed Jul 22, 2015 2:35 pm
Replies: 1
by Samin.2 » Fri Jul 10, 2015 2:58 pm

1 Replies

3276 Views

Last post by admin
Wed Jul 22, 2015 2:35 pm
Handling memory on GW

Last post by jxzhu « Fri Jul 17, 2015 8:44 pm
Replies: 1
by sponza » Fri Jun 06, 2014 5:25 pm

1 Replies

4137 Views

Last post by jxzhu
Fri Jul 17, 2015 8:44 pm
How to extract the total energy from ACFDT-RPA calculations?

Last post by juhL « Wed Jul 15, 2015 12:52 pm
Replies: 6
by vaspGG » Sun Apr 26, 2015 11:22 am

6 Replies

6682 Views

Last post by juhL
Wed Jul 15, 2015 12:52 pm
Questions on Si band structure at Gamma point using HSE06

Last post by sunncepu « Tue Jul 07, 2015 8:54 am
Replies: 1
by sunncepu » Thu Jul 02, 2015 11:01 am

1 Replies

3301 Views

Last post by sunncepu
Tue Jul 07, 2015 8:54 am
Large value for SMASS with large value for Sigma

Last post by comorado « Tue Jun 16, 2015 8:36 pm
Replies: 2
by comorado » Thu Jun 11, 2015 10:42 pm

2 Replies

3596 Views

Last post by comorado
Tue Jun 16, 2015 8:36 pm
Magnetic moment constraints for the collinear case

Last post by tomic « Mon Jun 15, 2015 9:56 am
Replies: 4
by tomic » Thu Jun 11, 2015 3:18 pm

4 Replies

5309 Views

Last post by tomic
Mon Jun 15, 2015 9:56 am
EDDDAV Error in exact diagonalization (ALGO=Exact)

Last post by juhL « Fri Jun 12, 2015 1:54 pm
Replies: 2
by juhL » Fri Jun 12, 2015 1:04 pm

2 Replies

3666 Views

Last post by juhL
Fri Jun 12, 2015 1:54 pm
Parallel performance of VASP

Last post by suen « Thu Jun 11, 2015 4:35 pm
Replies: 2
by suen » Wed Jun 10, 2015 8:06 am

2 Replies

3085 Views

Last post by suen
Thu Jun 11, 2015 4:35 pm
Does anyone know that calculate piezoelectric constant at VA

Last post by maartendft « Wed Jun 10, 2015 8:40 pm
Replies: 3
by BERNA AKGENC » Sat Mar 21, 2015 11:52 pm

3 Replies

5377 Views

Last post by maartendft
Wed Jun 10, 2015 8:40 pm
TOTAL-FORCE all zero

Last post by yingma « Fri Jun 05, 2015 4:03 pm
Replies: 2
by yingma » Thu Jun 04, 2015 4:36 am

2 Replies

4295 Views

Last post by yingma
Fri Jun 05, 2015 4:03 pm
The error in the calculating elastic constant

Last post by admin « Fri Jun 05, 2015 1:09 pm
Replies: 1
by VASP001 » Sun May 31, 2015 4:16 am

1 Replies

3385 Views

Last post by admin
Fri Jun 05, 2015 1:09 pm

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