Using VASP

Moderators: Global Moderator, Moderator

New Topic

5411 topics

Page 193 of 271
- Jump to page:
Previous
1
…
191
192
193
194
195
…
271
Next

Topics

Replies

Views

Last post

Tool to extract intermediate geometries from OUTCAR

Last post by physicalattraction « Wed May 25, 2011 7:21 pm
Replies: 4
by physicalattraction » Mon May 23, 2011 2:42 pm

4 Replies

2749 Views

Last post by physicalattraction
Wed May 25, 2011 7:21 pm
Effective masses

Last post by superyoyo « Wed May 25, 2011 6:21 am
Replies: 3
by lexa » Thu May 19, 2011 7:24 pm

3 Replies

5811 Views

Last post by superyoyo
Wed May 25, 2011 6:21 am
VASP 5.2.11; After commenting USE_ZHEEVX and recompiling VASP- Error EDDDAV: Call to ZHEGV failed

Last post by magnon963 « Tue May 24, 2011 9:31 am
Replies: 2
by magnon963 » Mon May 23, 2011 3:54 pm

2 Replies

2136 Views

Last post by magnon963
Tue May 24, 2011 9:31 am
Positive cohesive energy for a well test geometry

Last post by magnon963 « Tue May 24, 2011 9:18 am
Replies: 3
by magnon963 » Mon May 23, 2011 4:11 pm

3 Replies

1638 Views

Last post by magnon963
Tue May 24, 2011 9:18 am
PBE paw used in PBE calculation of PdO

Last post by swen « Mon May 23, 2011 1:38 pm
Replies: 8
by swen » Fri May 13, 2011 2:50 pm

8 Replies

3619 Views

Last post by swen
Mon May 23, 2011 1:38 pm
dipole correction

Last post by apple « Mon May 23, 2011 1:54 am
Replies: 2
by apple » Sun May 15, 2011 9:18 am

2 Replies

1650 Views

Last post by apple
Mon May 23, 2011 1:54 am
convergence test

Last post by apple « Mon May 23, 2011 1:41 am
Replies: 4
by apple » Wed Apr 27, 2011 3:15 pm

4 Replies

3971 Views

Last post by apple
Mon May 23, 2011 1:41 am
crystal symmetry

Last post by apple « Mon May 23, 2011 1:07 am
Replies: 2
by apple » Tue May 17, 2011 9:10 pm

2 Replies

2346 Views

Last post by apple
Mon May 23, 2011 1:07 am
Electrostatic potential

Last post by nickkhun23 « Thu May 19, 2011 12:28 pm
Replies: 4
by corbin » Mon May 16, 2011 4:18 pm

4 Replies

2678 Views

Last post by nickkhun23
Thu May 19, 2011 12:28 pm
Getting Bandgap from DOS calculated by GW method

Last post by felixvasp « Tue May 17, 2011 9:59 pm
Replies: 1
by felixvasp » Mon May 16, 2011 9:16 am

1 Replies

1655 Views

Last post by felixvasp
Tue May 17, 2011 9:59 pm
Bandstructure using GW correction

Last post by rashmi « Tue May 17, 2011 10:26 am
Replies: 1
by rashmi » Mon May 16, 2011 3:34 pm

1 Replies

1371 Views

Last post by rashmi
Tue May 17, 2011 10:26 am
DOS of CeO2

Last post by alex « Mon May 16, 2011 4:34 pm
Replies: 3
by swen » Fri May 13, 2011 3:20 pm

3 Replies

2635 Views

Last post by alex
Mon May 16, 2011 4:34 pm
too many layers

Last post by apple « Fri May 13, 2011 7:29 pm
Replies: 2
by apple » Thu Apr 28, 2011 4:26 pm

2 Replies

1101 Views

Last post by apple
Fri May 13, 2011 7:29 pm
Tutorial VASP. Difference in energy

Last post by autieri « Fri May 13, 2011 12:49 pm
Replies: 3
by autieri » Wed Apr 06, 2011 2:34 pm

3 Replies

1686 Views

Last post by autieri
Fri May 13, 2011 12:49 pm
Wrong ordering of band energies in EIGENVAL file

Last post by superyoyo « Thu May 12, 2011 8:52 am
Replies: 2
by magnon963 » Tue May 03, 2011 2:25 pm

2 Replies

1777 Views

Last post by superyoyo
Thu May 12, 2011 8:52 am
CONTCAR

Last post by admin « Wed May 11, 2011 6:00 pm
Replies: 2
by Dr Vitaly V. G. Chaban » Fri Apr 29, 2011 4:46 pm

2 Replies

1732 Views

Last post by admin
Wed May 11, 2011 6:00 pm
Energy CUT OFF chnaged but free energy same

Last post by alex « Thu May 05, 2011 5:59 pm
Replies: 1
by s9811016 » Thu May 05, 2011 11:16 am

1 Replies

1682 Views

Last post by alex
Thu May 05, 2011 5:59 pm
Chemical Potential

Last post by hat343 « Tue May 03, 2011 5:54 am
Replies: 5
by hat343 » Fri Jan 14, 2011 11:16 am

5 Replies

3248 Views

Last post by hat343
Tue May 03, 2011 5:54 am
Calculating COOP (crystal orbital overlap population) within VASP

Last post by ambiguousphoton « Mon May 02, 2011 9:27 pm
Replies: 8
by mukul » Mon Jan 11, 2010 12:38 am

8 Replies

10469 Views

Last post by ambiguousphoton
Mon May 02, 2011 9:27 pm
Using VASP to calculate the density of state for fcc Ge.

Last post by duantianli « Sat Apr 30, 2011 2:34 am
Replies: 2
by duantianli » Fri Apr 29, 2011 3:40 am

2 Replies

3412 Views

Last post by duantianli
Sat Apr 30, 2011 2:34 am

New Topic

5411 topics

Page 193 of 271
- Jump to page:
Previous
1
…
191
192
193
194
195
…
271
Next

Return to Board Index

Forum permissions

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum