Long pages

Showing below up to 500 results in range #1 to #500.

1. (hist) ‎Best practices for machine-learned force fields ‎[60,432 bytes]
2. (hist) ‎Machine learning force field: Theory ‎[36,041 bytes]
3. (hist) ‎Available PAW potentials ‎[35,702 bytes]
4. (hist) ‎Practical guide to GW calculations ‎[34,918 bytes]
5. (hist) ‎Personal computer installation ‎[33,662 bytes]
6. (hist) ‎KPOINTS ‎[29,978 bytes]
7. (hist) ‎Band gap renormalization in diamond using one-shot method ‎[26,191 bytes]
8. (hist) ‎Liquid Si - MLFF ‎[25,207 bytes]
9. (hist) ‎ACFDT/RPA calculations ‎[22,316 bytes]
10. (hist) ‎Wannier orbitals from VASP ‎[21,640 bytes]
11. (hist) ‎ML LOGFILE ‎[21,107 bytes]
12. (hist) ‎MDALGO ‎[18,730 bytes]
13. (hist) ‎Berry phases and finite electric fields ‎[18,543 bytes]
14. (hist) ‎FAQ ‎[18,076 bytes]
15. (hist) ‎Known issues ‎[18,042 bytes]
16. (hist) ‎POSCAR ‎[17,090 bytes]
17. (hist) ‎Liquid Si - Freezing ‎[17,053 bytes]
18. (hist) ‎Installing VASP.5.X.X ‎[16,786 bytes]
19. (hist) ‎ML AB ‎[16,257 bytes]
20. (hist) ‎Si bandstructure ‎[15,970 bytes]
21. (hist) ‎IBRION ‎[15,867 bytes]
22. (hist) ‎IALGO ‎[15,406 bytes]
23. (hist) ‎GW approximation of Hedin's equations ‎[14,633 bytes]
24. (hist) ‎XANES in Diamond ‎[14,536 bytes]
25. (hist) ‎LCHIMAG ‎[14,445 bytes]
26. (hist) ‎Phonons: Theory ‎[14,441 bytes]
27. (hist) ‎Liquid Si - Standard MD ‎[14,337 bytes]
28. (hist) ‎Dielectric properties of SiC ‎[14,291 bytes]
29. (hist) ‎Collective jumps of a Pt adatom on fcc-Pt (001): Nudged Elastic Band Calculation ‎[14,188 bytes]
30. (hist) ‎Bandstructure of SrVO3 in GW ‎[13,938 bytes]
31. (hist) ‎Hybrid functionals: formalism ‎[13,698 bytes]
32. (hist) ‎Validation tests ‎[13,566 bytes]
33. (hist) ‎Dipole corrections for defects in solids ‎[13,533 bytes]
34. (hist) ‎Calculate U for LSDA+U ‎[13,525 bytes]
35. (hist) ‎Bethe-Salpeter-equations calculations ‎[13,323 bytes]
36. (hist) ‎METAGGA ‎[13,140 bytes]
37. (hist) ‎Bandstructure and CRPA of SrVO3 ‎[13,041 bytes]
38. (hist) ‎Constrained–random-phase–approximation formalism ‎[12,865 bytes]
39. (hist) ‎Projector-augmented-wave formalism ‎[12,487 bytes]
40. (hist) ‎Nonlocal vdW-DF functionals ‎[11,839 bytes]
41. (hist) ‎RPA/ACFDT: Correlation energy in the Random Phase Approximation ‎[11,786 bytes]
42. (hist) ‎Combining MPI and OpenMP ‎[11,425 bytes]
43. (hist) ‎Machine learning force field calculations: Basics ‎[11,129 bytes]
44. (hist) ‎Downsampling of the Hartree-Fock operator ‎[11,068 bytes]
45. (hist) ‎ICONST ‎[10,942 bytes]
46. (hist) ‎LSELFENERGY ‎[10,815 bytes]
47. (hist) ‎GW and dielectric matrix ‎[10,669 bytes]
48. (hist) ‎EFIELD PEAD ‎[10,659 bytes]
49. (hist) ‎Nucleophile Substitution CH3Cl - Standard MD ‎[10,633 bytes]
50. (hist) ‎Energy vs volume Volume relaxations and Pulay stress ‎[10,519 bytes]
51. (hist) ‎CRPA of SrVO3 ‎[10,512 bytes]
52. (hist) ‎Nuclephile Substitution CH3Cl - BM ‎[10,234 bytes]
53. (hist) ‎LOCPROJ ‎[10,218 bytes]
54. (hist) ‎Nuclephile Substitution CH3Cl - mMD3 ‎[10,170 bytes]
55. (hist) ‎Band-structure calculation using hybrid functionals ‎[10,145 bytes]
56. (hist) ‎Makefile.include ‎[10,109 bytes]
57. (hist) ‎LSORBIT ‎[10,077 bytes]
58. (hist) ‎Toolchains ‎[9,914 bytes]
59. (hist) ‎Spin spirals ‎[9,728 bytes]
60. (hist) ‎LBERRY ‎[9,681 bytes]
61. (hist) ‎Computing the phonon dispersion and DOS ‎[9,530 bytes]
62. (hist) ‎ML MODE ‎[9,098 bytes]
63. (hist) ‎The VASP Manual ‎[9,091 bytes]
64. (hist) ‎Nuclephile Substitution CH3Cl - mMD2 ‎[9,060 bytes]
65. (hist) ‎Changelog ‎[8,917 bytes]
66. (hist) ‎Phonons from finite differences ‎[8,838 bytes]
67. (hist) ‎Linking to libraries ‎[8,765 bytes]
68. (hist) ‎O atom ‎[8,631 bytes]
69. (hist) ‎LORBIT ‎[8,555 bytes]
70. (hist) ‎ALGO ‎[8,432 bytes]
71. (hist) ‎Energy cut off and FFT mesh ‎[8,359 bytes]
72. (hist) ‎Nuclephile Substitution CH3Cl - mMD1 ‎[8,206 bytes]
73. (hist) ‎SAXIS ‎[8,175 bytes]
74. (hist) ‎Calculation of atoms ‎[7,922 bytes]
75. (hist) ‎Ionic contributions to the frequency dependent dielectric function of NaCl ‎[7,888 bytes]
76. (hist) ‎Computing the work function ‎[7,810 bytes]
77. (hist) ‎Precompiler options ‎[7,793 bytes]
78. (hist) ‎PREC ‎[7,609 bytes]
79. (hist) ‎Equilibrium volume of Si in the RPA ‎[7,600 bytes]
80. (hist) ‎Bandgap of Si in GW ‎[7,508 bytes]
81. (hist) ‎Si HSE bandstructure ‎[7,449 bytes]
82. (hist) ‎Self-consistency cycle ‎[7,446 bytes]
83. (hist) ‎K-point integration ‎[7,350 bytes]
84. (hist) ‎Intrinsic-reaction-coordinate calculations ‎[7,183 bytes]
85. (hist) ‎OpenACC GPU port of VASP ‎[7,152 bytes]
86. (hist) ‎Improved dimer method ‎[7,080 bytes]
87. (hist) ‎Plotting the BSE fatband structure of Si ‎[6,975 bytes]
88. (hist) ‎Band-decomposed charge densities ‎[6,943 bytes]
89. (hist) ‎PRECFOCK ‎[6,943 bytes]
90. (hist) ‎Bandstructure of Si in GW (VASP2WANNIER90) ‎[6,930 bytes]
91. (hist) ‎Tkatchenko-Scheffler method ‎[6,919 bytes]
92. (hist) ‎Nuclephile Substitution CH3Cl - SG ‎[6,906 bytes]
93. (hist) ‎ISMEAR ‎[6,882 bytes]
94. (hist) ‎Coulomb singularity ‎[6,863 bytes]
95. (hist) ‎NMAXFOCKAE and LMAXFOCKAE ‎[6,829 bytes]
96. (hist) ‎Thermodynamic integration with harmonic reference ‎[6,626 bytes]
97. (hist) ‎Improving the dielectric function ‎[6,563 bytes]
98. (hist) ‎Welcome ‎[6,524 bytes]
99. (hist) ‎ML ISTART ‎[6,451 bytes]
100. (hist) ‎LREAL ‎[6,334 bytes]
101. (hist) ‎XAS theory ‎[6,208 bytes]
102. (hist) ‎NiO LSDA+U ‎[6,199 bytes]
103. (hist) ‎I CONSTRAINED M ‎[6,124 bytes]
104. (hist) ‎LHYPERFINE ‎[6,108 bytes]
105. (hist) ‎LIBXC1 ‎[6,004 bytes]
106. (hist) ‎Profiling ‎[5,996 bytes]
107. (hist) ‎Installing VASP.6.X.X ‎[5,989 bytes]
108. (hist) ‎Dielectric properties of Si using BSE ‎[5,984 bytes]
109. (hist) ‎Number of k points and method for smearing ‎[5,874 bytes]
110. (hist) ‎CHGCAR ‎[5,850 bytes]
111. (hist) ‎LEPSILON ‎[5,818 bytes]
112. (hist) ‎DFT+U: formalism ‎[5,734 bytes]
113. (hist) ‎RMM-DIIS ‎[5,674 bytes]
114. (hist) ‎Many-body dispersion energy ‎[5,659 bytes]
115. (hist) ‎NATURALO ‎[5,593 bytes]
116. (hist) ‎Shared memory ‎[5,425 bytes]
117. (hist) ‎ROPT ‎[5,412 bytes]
118. (hist) ‎DDsC dispersion correction ‎[5,384 bytes]
119. (hist) ‎Vibrational frequencies of CO on Ni 111 surface ‎[5,361 bytes]
120. (hist) ‎ISYM ‎[5,302 bytes]
121. (hist) ‎Monopole Dipole and Quadrupole Corrections ‎[5,259 bytes]
122. (hist) ‎Stochastic LTMP2 ‎[5,235 bytes]
123. (hist) ‎GGA ‎[5,231 bytes]
124. (hist) ‎SCH calculations ‎[5,208 bytes]
125. (hist) ‎ENCUTGW ‎[5,206 bytes]
126. (hist) ‎Low-scaling GW: The space-time formalism ‎[5,196 bytes]
127. (hist) ‎Phonons from density-functional-perturbation theory ‎[5,187 bytes]
128. (hist) ‎NCORE ‎[5,090 bytes]
129. (hist) ‎DFT-D2 ‎[5,087 bytes]
130. (hist) ‎Angular functions ‎[5,049 bytes]
131. (hist) ‎Time-dependent density-functional theory calculations ‎[5,032 bytes]
132. (hist) ‎Tkatchenko-Scheffler method with iterative Hirshfeld partitioning ‎[4,985 bytes]
133. (hist) ‎BANDGAP ‎[4,947 bytes]
134. (hist) ‎Time Evolution ‎[4,923 bytes]
135. (hist) ‎LIBXC1 Pn ‎[4,902 bytes]
136. (hist) ‎MAGMOM ‎[4,885 bytes]
137. (hist) ‎Ni 100 surface relaxation ‎[4,849 bytes]
138. (hist) ‎Constraining local magnetic moments ‎[4,829 bytes]
139. (hist) ‎ML ICRITERIA ‎[4,826 bytes]
140. (hist) ‎Many-body dispersion energy with fractionally ionic model for polarizability ‎[4,822 bytes]
141. (hist) ‎ICORELEVEL ‎[4,795 bytes]
142. (hist) ‎Blue-moon ensemble ‎[4,786 bytes]
143. (hist) ‎PCDAT ‎[4,717 bytes]
144. (hist) ‎NPAR ‎[4,704 bytes]
145. (hist) ‎MP2 ground state calculation - Tutorial ‎[4,667 bytes]
146. (hist) ‎IOP Chester 2019 ‎[4,621 bytes]
147. (hist) ‎ML MB MIN ‎[4,606 bytes]
148. (hist) ‎LCALCEPS ‎[4,530 bytes]
149. (hist) ‎Static linear response: theory ‎[4,526 bytes]
150. (hist) ‎Nudged elastic bands ‎[4,505 bytes]
151. (hist) ‎ISTART ‎[4,502 bytes]
152. (hist) ‎IMIX ‎[4,494 bytes]
153. (hist) ‎DOSCAR ‎[4,493 bytes]
154. (hist) ‎PROCAR ‎[4,462 bytes]
155. (hist) ‎Optimizing the parallelization ‎[4,408 bytes]
156. (hist) ‎Slow-growth approach ‎[4,349 bytes]
157. (hist) ‎Electron-phonon interactions theory ‎[4,288 bytes]
158. (hist) ‎Wrap-around errors ‎[4,276 bytes]
159. (hist) ‎LMODELHF ‎[4,227 bytes]
160. (hist) ‎Alpha-AlF3 ‎[4,194 bytes]
161. (hist) ‎LSINGLES ‎[4,190 bytes]
162. (hist) ‎ICAMM Rennes 2016 ‎[4,166 bytes]
163. (hist) ‎Graphite TS binding energy ‎[4,159 bytes]
164. (hist) ‎INCAR ‎[4,147 bytes]
165. (hist) ‎IMAGES ‎[4,089 bytes]
166. (hist) ‎ML DESC TYPE ‎[4,089 bytes]
167. (hist) ‎Direct optimization of the orbitals ‎[4,080 bytes]
168. (hist) ‎Makefile.include.nvhpc ompi mkl omp acc ‎[4,074 bytes]
169. (hist) ‎CUDA-C GPU port of VASP ‎[4,074 bytes]
170. (hist) ‎WRT POTENTIAL ‎[4,070 bytes]
171. (hist) ‎ML IWEIGHT ‎[4,056 bytes]
172. (hist) ‎LATTICE CONSTRAINTS ‎[4,044 bytes]
173. (hist) ‎Practical considerations for transition state finding calculations ‎[4,039 bytes]
174. (hist) ‎Electron-phonon interactions from Monte-Carlo sampling ‎[4,037 bytes]
175. (hist) ‎List of hybrid functionals ‎[4,034 bytes]
176. (hist) ‎O dimer ‎[3,978 bytes]
177. (hist) ‎PARCHG ‎[3,968 bytes]
178. (hist) ‎Input and Output - a short Intro ‎[3,957 bytes]
179. (hist) ‎Vaspwiki standards ‎[3,942 bytes]
180. (hist) ‎LTRIPLET ‎[3,923 bytes]
181. (hist) ‎OMEGAMAX ‎[3,921 bytes]
182. (hist) ‎Graphite MBD binding energy ‎[3,912 bytes]
183. (hist) ‎LOPTICS ‎[3,878 bytes]
184. (hist) ‎LVACPOTAV ‎[3,870 bytes]
185. (hist) ‎SCALEE ‎[3,864 bytes]
186. (hist) ‎NpT ensemble ‎[3,857 bytes]
187. (hist) ‎Alpha-SiO2 ‎[3,828 bytes]
188. (hist) ‎Molecular dynamics calculations ‎[3,820 bytes]
189. (hist) ‎Constrained MD using a microcanonical ensemble ‎[3,805 bytes]
190. (hist) ‎Makefile.include.nvhpc omp acc ‎[3,801 bytes]
191. (hist) ‎ML LCOUPLE ‎[3,786 bytes]
192. (hist) ‎Self-consistent screening in Tkatchenko-Scheffler method ‎[3,765 bytes]
193. (hist) ‎PROOUT ‎[3,725 bytes]
194. (hist) ‎IVDW ‎[3,713 bytes]
195. (hist) ‎HFRCUT ‎[3,706 bytes]
196. (hist) ‎Fcc Ni (revisited) ‎[3,706 bytes]
197. (hist) ‎DFT-D3 ‎[3,697 bytes]
198. (hist) ‎O atom spinpolarized ‎[3,676 bytes]
199. (hist) ‎NVT ensemble ‎[3,654 bytes]
200. (hist) ‎ML IALGO LINREG ‎[3,649 bytes]
201. (hist) ‎ICHARG ‎[3,646 bytes]
202. (hist) ‎MAXMIX ‎[3,638 bytes]
203. (hist) ‎LMAXFOCK ‎[3,633 bytes]
204. (hist) ‎Blocked-Davidson algorithm ‎[3,560 bytes]
205. (hist) ‎FOCKCORR ‎[3,543 bytes]
206. (hist) ‎PAW control tags ‎[3,518 bytes]
207. (hist) ‎Ni 100 surface DOS ‎[3,517 bytes]
208. (hist) ‎Compiler options ‎[3,510 bytes]
209. (hist) ‎NVE ensemble ‎[3,501 bytes]
210. (hist) ‎Makefile.include.nvhpc acc ‎[3,463 bytes]
211. (hist) ‎Troubleshooting electronic convergence ‎[3,439 bytes]
212. (hist) ‎ML MB ‎[3,435 bytes]
213. (hist) ‎Electric Field Gradient ‎[3,420 bytes]
214. (hist) ‎NpH ensemble ‎[3,414 bytes]
215. (hist) ‎Cd Si ‎[3,407 bytes]
216. (hist) ‎Chester 2019 ‎[3,392 bytes]
217. (hist) ‎Graphite interlayer distance ‎[3,376 bytes]
218. (hist) ‎EFERMI ‎[3,374 bytes]
219. (hist) ‎LCALCPOL ‎[3,363 bytes]
220. (hist) ‎LPLANE ‎[3,359 bytes]
221. (hist) ‎LTMP2 - Tutorial ‎[3,358 bytes]
222. (hist) ‎Plotting exciton wavefunction ‎[3,339 bytes]
223. (hist) ‎NELMDL ‎[3,319 bytes]
224. (hist) ‎NBANDS ‎[3,285 bytes]
225. (hist) ‎Determining the Magnetic Anisotropy ‎[3,275 bytes]
226. (hist) ‎OSZICAR ‎[3,272 bytes]
227. (hist) ‎ICAMM Rennes 2019 HOWTO ‎[3,243 bytes]
228. (hist) ‎ISIF ‎[3,225 bytes]
229. (hist) ‎Basis set convergence of RPA-ACFDT calculations ‎[3,203 bytes]
230. (hist) ‎LPEAD ‎[3,194 bytes]
231. (hist) ‎Partial DOS of CO on Ni 111 surface ‎[3,193 bytes]
232. (hist) ‎Cd Si volume relaxation ‎[3,170 bytes]
233. (hist) ‎BEXT ‎[3,072 bytes]
234. (hist) ‎CSVR thermostat ‎[3,072 bytes]
235. (hist) ‎Makefile.include.linux intel cuda ‎[3,063 bytes]
236. (hist) ‎Nose-Hoover-chain thermostat ‎[3,061 bytes]
237. (hist) ‎Performance issues, try NCORE, KPAR, ALGO, LREAL ‎[3,015 bytes]
238. (hist) ‎XC ‎[2,992 bytes]
239. (hist) ‎VCAIMAGES ‎[2,980 bytes]
240. (hist) ‎NFREE ‎[2,945 bytes]
241. (hist) ‎Constrained molecular dynamics ‎[2,933 bytes]
242. (hist) ‎Ni 100 surface bandstructure ‎[2,928 bytes]
243. (hist) ‎CO on Ni 111 surface ‎[2,924 bytes]
244. (hist) ‎NBMOD ‎[2,918 bytes]
245. (hist) ‎Ni 111 surface high precision ‎[2,907 bytes]
246. (hist) ‎Plot BSE fatbands ‎[2,888 bytes]
247. (hist) ‎VCA ‎[2,887 bytes]
248. (hist) ‎Not enough memory ‎[2,881 bytes]
249. (hist) ‎Makefile.include.nvhpc omp ‎[2,864 bytes]
250. (hist) ‎Constrained MD using a canonical ensemble ‎[2,858 bytes]
251. (hist) ‎LWANNIER90 ‎[2,847 bytes]
252. (hist) ‎LDIAG ‎[2,840 bytes]
253. (hist) ‎Makefile.include.gnu ompi aocl omp ‎[2,810 bytes]
254. (hist) ‎Number of G-vectors changed in the star ‎[2,796 bytes]
255. (hist) ‎Makefile.include.nvhpc ompi mkl omp ‎[2,780 bytes]
256. (hist) ‎Makefile.include.aocc ompi aocl omp ‎[2,772 bytes]
257. (hist) ‎NERSC Berkeley 2016 ‎[2,772 bytes]
258. (hist) ‎SMASS ‎[2,756 bytes]
259. (hist) ‎SPRING ‎[2,738 bytes]
260. (hist) ‎LNONCOLLINEAR ‎[2,721 bytes]
261. (hist) ‎Fcc Si ‎[2,718 bytes]
262. (hist) ‎CO ‎[2,679 bytes]
263. (hist) ‎LAECHG ‎[2,662 bytes]
264. (hist) ‎Makefile.include.gnu omp ‎[2,656 bytes]
265. (hist) ‎RWIGS ‎[2,604 bytes]
266. (hist) ‎ADDGRID ‎[2,604 bytes]
267. (hist) ‎LTEMPER ‎[2,602 bytes]
268. (hist) ‎LDAUTYPE ‎[2,586 bytes]
269. (hist) ‎Technical errors ‎[2,581 bytes]
270. (hist) ‎Ni 111 surface relaxation ‎[2,578 bytes]
271. (hist) ‎Makefile.include.nvhpc ‎[2,565 bytes]
272. (hist) ‎NELECT ‎[2,553 bytes]
273. (hist) ‎Makefile.include.gnu ompi mkl omp ‎[2,531 bytes]
274. (hist) ‎ML EPS REG ‎[2,531 bytes]
275. (hist) ‎ICAMM Rennes 2019 ‎[2,528 bytes]
276. (hist) ‎ML RCUT2 ‎[2,528 bytes]
277. (hist) ‎CO vibration ‎[2,508 bytes]
278. (hist) ‎Makefile.include.gnu ompi aocl ‎[2,507 bytes]
279. (hist) ‎Makefile.include.nec aurora ‎[2,503 bytes]
280. (hist) ‎Sigma2 Oslo 2019 ‎[2,496 bytes]
281. (hist) ‎Including the Spin-Orbit Coupling ‎[2,484 bytes]
282. (hist) ‎DFT-ulg ‎[2,477 bytes]
283. (hist) ‎Makefile.include.oneapi omp ‎[2,468 bytes]
284. (hist) ‎Makefile.include.aocc ompi aocl ‎[2,467 bytes]
285. (hist) ‎Hellmann-Feynman forces ‎[2,461 bytes]
286. (hist) ‎CO partial DOS ‎[2,448 bytes]
287. (hist) ‎Command-line arguments ‎[2,446 bytes]
288. (hist) ‎H2O molecular dynamics ‎[2,445 bytes]
289. (hist) ‎Minimal reproducible example ‎[2,442 bytes]
290. (hist) ‎ENCUTGWSOFT ‎[2,417 bytes]
291. (hist) ‎Makefile.include.linux intel ‎[2,416 bytes]
292. (hist) ‎ML LHEAT ‎[2,413 bytes]
293. (hist) ‎Matsubara formalism ‎[2,407 bytes]
294. (hist) ‎LDIPOL ‎[2,402 bytes]
295. (hist) ‎Makefile.include.intel ompi mkl omp ‎[2,396 bytes]
296. (hist) ‎DIPOL ‎[2,360 bytes]
297. (hist) ‎Makefile.include.gnu ‎[2,359 bytes]
298. (hist) ‎ML OUTBLOCK ‎[2,353 bytes]
299. (hist) ‎ML LMAX2 ‎[2,351 bytes]
300. (hist) ‎Bandgap of Si using different DFT+HF methods ‎[2,337 bytes]
301. (hist) ‎LHFCALC ‎[2,333 bytes]
302. (hist) ‎NERSC Berkeley 2016 HOWTO ‎[2,295 bytes]
303. (hist) ‎NKRED ‎[2,294 bytes]
304. (hist) ‎ML REG ‎[2,285 bytes]
305. (hist) ‎Harris-Foulkes functional ‎[2,281 bytes]
306. (hist) ‎Makefile.include.fujitsu a64fx omp ‎[2,280 bytes]
307. (hist) ‎Input ‎[2,259 bytes]
308. (hist) ‎Estimation of J magnetic coupling ‎[2,244 bytes]
309. (hist) ‎NGZF ‎[2,244 bytes]
310. (hist) ‎NGYF ‎[2,244 bytes]
311. (hist) ‎NGXF ‎[2,243 bytes]
312. (hist) ‎ML CX ‎[2,235 bytes]
313. (hist) ‎Calculation of dimers ‎[2,226 bytes]
314. (hist) ‎Dielectric properties of Si ‎[2,226 bytes]
315. (hist) ‎Makefile.include.fujitsu a64fx ‎[2,219 bytes]
316. (hist) ‎IWAVPR ‎[2,195 bytes]
317. (hist) ‎High quality quantitative versus qualitative calculations ‎[2,192 bytes]
318. (hist) ‎LSEPK ‎[2,185 bytes]
319. (hist) ‎Makefile.include.oneapi ‎[2,171 bytes]
320. (hist) ‎ML MRB2 ‎[2,169 bytes]
321. (hist) ‎Makefile.include.intel omp ‎[2,140 bytes]
322. (hist) ‎ENCUT ‎[2,130 bytes]
323. (hist) ‎Fcc Si DOS ‎[2,116 bytes]
324. (hist) ‎Makefile.include.intel ‎[2,112 bytes]
325. (hist) ‎QUAD EFG ‎[2,085 bytes]
326. (hist) ‎LKPROJ ‎[2,080 bytes]
327. (hist) ‎ML IAFILT2 ‎[2,058 bytes]
328. (hist) ‎Cd Si relaxation ‎[2,050 bytes]
329. (hist) ‎ICAMM Rennes 2016 HOWTO ‎[2,046 bytes]
330. (hist) ‎POTCAR ‎[2,032 bytes]
331. (hist) ‎PMASS ‎[2,011 bytes]
332. (hist) ‎LEFG ‎[2,011 bytes]
333. (hist) ‎Spin-orbit coupling in a Ni monolayer ‎[2,009 bytes]
334. (hist) ‎LLRAUG ‎[1,999 bytes]
335. (hist) ‎NBANDS WAVE ‎[1,988 bytes]
336. (hist) ‎Constraining the local magnetic moments ‎[1,979 bytes]
337. (hist) ‎ML MCONF ‎[1,977 bytes]
338. (hist) ‎NiO ‎[1,974 bytes]
339. (hist) ‎NKREDZ ‎[1,963 bytes]
340. (hist) ‎NKREDY ‎[1,963 bytes]
341. (hist) ‎NKREDX ‎[1,963 bytes]
342. (hist) ‎PSTRESS ‎[1,960 bytes]
343. (hist) ‎NBLOCK ‎[1,959 bytes]
344. (hist) ‎ML RCUT1 ‎[1,958 bytes]
345. (hist) ‎CONTCAR ‎[1,954 bytes]
346. (hist) ‎O atom spinpolarized low symmetry ‎[1,954 bytes]
347. (hist) ‎ODDONLY ‎[1,929 bytes]
348. (hist) ‎ML SION1 ‎[1,924 bytes]
349. (hist) ‎KPAR ‎[1,915 bytes]
350. (hist) ‎ML EATOM REF ‎[1,912 bytes]
351. (hist) ‎BMIX ‎[1,903 bytes]
352. (hist) ‎KSPACING ‎[1,895 bytes]
353. (hist) ‎ML SION2 ‎[1,893 bytes]
354. (hist) ‎EVENONLY ‎[1,877 bytes]
355. (hist) ‎TS search using the NEB Method ‎[1,871 bytes]
356. (hist) ‎NBANDSO ‎[1,869 bytes]
357. (hist) ‎Output ‎[1,867 bytes]
358. (hist) ‎LADDER ‎[1,865 bytes]
359. (hist) ‎ML LSPARSDES ‎[1,864 bytes]
360. (hist) ‎BMIX MAG ‎[1,858 bytes]
361. (hist) ‎CUTOFF TYPE ‎[1,853 bytes]
362. (hist) ‎LIBMBD C6AU ‎[1,847 bytes]
363. (hist) ‎RANDOM SEED ‎[1,846 bytes]
364. (hist) ‎VASP workshop 2003 ‎[1,841 bytes]
365. (hist) ‎MP2 calculations ‎[1,840 bytes]
366. (hist) ‎TEBEG ‎[1,835 bytes]
367. (hist) ‎ML LFAST ‎[1,830 bytes]
368. (hist) ‎MP2 ‎[1,820 bytes]
369. (hist) ‎NiO GGA+U ‎[1,814 bytes]
370. (hist) ‎LIBMBD VDW PARAMS KIND ‎[1,809 bytes]
371. (hist) ‎NBANDSV ‎[1,809 bytes]
372. (hist) ‎NOMEGA ‎[1,806 bytes]
373. (hist) ‎LMAXMIX ‎[1,804 bytes]
374. (hist) ‎LIBMBD TS SR ‎[1,801 bytes]
375. (hist) ‎LIBMBD ALPHA ‎[1,798 bytes]
376. (hist) ‎NTEMPER ‎[1,789 bytes]
377. (hist) ‎LIBMBD MBD BETA ‎[1,787 bytes]
378. (hist) ‎Fcc Si bandstructure ‎[1,770 bytes]
379. (hist) ‎LIBMBD XC ‎[1,769 bytes]
380. (hist) ‎LFOCKACE ‎[1,768 bytes]
381. (hist) ‎LTHOMAS ‎[1,758 bytes]
382. (hist) ‎LSUBROT ‎[1,756 bytes]
383. (hist) ‎LIBMBD METHOD ‎[1,749 bytes]
384. (hist) ‎SPRING V0 ‎[1,743 bytes]
385. (hist) ‎HFALPHA ‎[1,741 bytes]
386. (hist) ‎LIBMBD R0AU ‎[1,734 bytes]
387. (hist) ‎ML SCLC CTIFOR ‎[1,732 bytes]
388. (hist) ‎LANGEVIN GAMMA ‎[1,729 bytes]
389. (hist) ‎LPHON POLAR ‎[1,725 bytes]
390. (hist) ‎LTBOUNDLIBXC ‎[1,719 bytes]
391. (hist) ‎IALL IN ONE ‎[1,718 bytes]
392. (hist) ‎POTIM ‎[1,718 bytes]
393. (hist) ‎GGA COMPAT ‎[1,714 bytes]
394. (hist) ‎MgO optimum mixing ‎[1,711 bytes]
395. (hist) ‎H2O vibration ‎[1,710 bytes]
396. (hist) ‎PARAM2 ‎[1,707 bytes]
397. (hist) ‎LIBMBD TS D ‎[1,706 bytes]
398. (hist) ‎PARAM1 ‎[1,706 bytes]
399. (hist) ‎LALL IN ONE ‎[1,704 bytes]
400. (hist) ‎LSEPB ‎[1,696 bytes]
401. (hist) ‎H2O ‎[1,696 bytes]
402. (hist) ‎ML CTIFOR ‎[1,687 bytes]
403. (hist) ‎STM of graphite ‎[1,674 bytes]
404. (hist) ‎AMIX ‎[1,667 bytes]
405. (hist) ‎Nose-Hoover thermostat ‎[1,637 bytes]
406. (hist) ‎NWRITE ‎[1,634 bytes]
407. (hist) ‎ML FFN ‎[1,632 bytes]
408. (hist) ‎ML LBASIS DISCARD ‎[1,629 bytes]
409. (hist) ‎LNABLA ‎[1,627 bytes]
410. (hist) ‎ML EPS LOW ‎[1,625 bytes]
411. (hist) ‎ODDONLYGW ‎[1,613 bytes]
412. (hist) ‎CH LSPEC ‎[1,610 bytes]
413. (hist) ‎ML MHIS ‎[1,608 bytes]
414. (hist) ‎AMIX MAG ‎[1,602 bytes]
415. (hist) ‎LANGEVIN GAMMA L ‎[1,600 bytes]
416. (hist) ‎IDIPOL ‎[1,597 bytes]
417. (hist) ‎ML IERR ‎[1,569 bytes]
418. (hist) ‎NBANDSEXACT ‎[1,562 bytes]
419. (hist) ‎LOCPOT ‎[1,558 bytes]
420. (hist) ‎LHARTREE ‎[1,540 bytes]
421. (hist) ‎Number of bands NBANDS ‎[1,525 bytes]
422. (hist) ‎LIBMBD MBD A ‎[1,511 bytes]
423. (hist) ‎LVGVCALC ‎[1,503 bytes]
424. (hist) ‎VOSKOWN ‎[1,501 bytes]
425. (hist) ‎Preconditioning ‎[1,495 bytes]
426. (hist) ‎LPARD ‎[1,489 bytes]
427. (hist) ‎EINT ‎[1,475 bytes]
428. (hist) ‎PHON NWRITE ‎[1,464 bytes]
429. (hist) ‎ML MRB1 ‎[1,461 bytes]
430. (hist) ‎LIBMBD PARALLEL MODE ‎[1,457 bytes]
431. (hist) ‎PHON G CUTOFF ‎[1,456 bytes]
432. (hist) ‎MIXPRE ‎[1,454 bytes]
433. (hist) ‎BSEPREC ‎[1,453 bytes]
434. (hist) ‎Lectures and presentations ‎[1,452 bytes]
435. (hist) ‎PENALTYPOT ‎[1,446 bytes]
436. (hist) ‎LIBMBD K GRID ‎[1,445 bytes]
437. (hist) ‎Langevin thermostat ‎[1,445 bytes]
438. (hist) ‎WAVECAR ‎[1,436 bytes]
439. (hist) ‎INIMIX ‎[1,431 bytes]
440. (hist) ‎NGY ‎[1,430 bytes]
441. (hist) ‎NGZ ‎[1,429 bytes]
442. (hist) ‎NGX ‎[1,429 bytes]
443. (hist) ‎NUPDOWN ‎[1,428 bytes]
444. (hist) ‎LMONO ‎[1,427 bytes]
445. (hist) ‎ENCUTFOCK ‎[1,425 bytes]
446. (hist) ‎LMAXPAW ‎[1,423 bytes]
447. (hist) ‎LRPAFORCE ‎[1,416 bytes]
448. (hist) ‎LASPH ‎[1,416 bytes]
449. (hist) ‎CSHIFT ‎[1,415 bytes]
450. (hist) ‎PRJCAR ‎[1,414 bytes]
451. (hist) ‎LPHON READ FORCE CONSTANTS ‎[1,407 bytes]
452. (hist) ‎NTAUPAR ‎[1,397 bytes]
453. (hist) ‎PHON BORN CHARGES ‎[1,395 bytes]
454. (hist) ‎LSCDM ‎[1,391 bytes]
455. (hist) ‎PHON DIELECTRIC ‎[1,383 bytes]
456. (hist) ‎LRHFCALC ‎[1,375 bytes]
457. (hist) ‎MAXMEM ‎[1,362 bytes]
458. (hist) ‎LRPA ‎[1,362 bytes]
459. (hist) ‎Vaspout.h5 ‎[1,359 bytes]
460. (hist) ‎LIBMBD K GRID SHIFT ‎[1,347 bytes]
461. (hist) ‎LVHAR ‎[1,341 bytes]
462. (hist) ‎LFINITE TEMPERATURE ‎[1,334 bytes]
463. (hist) ‎VASP workshop ‎[1,321 bytes]
464. (hist) ‎Andersen thermostat ‎[1,310 bytes]
465. (hist) ‎POMASS ‎[1,306 bytes]
466. (hist) ‎NEDOS ‎[1,298 bytes]
467. (hist) ‎LSPECTRALGW ‎[1,294 bytes]
468. (hist) ‎NiO HSE06 ‎[1,291 bytes]
469. (hist) ‎LWANNIER90 RUN ‎[1,278 bytes]
470. (hist) ‎WEIMIN ‎[1,278 bytes]
471. (hist) ‎LIBMBD N OMEGA GRID ‎[1,276 bytes]
472. (hist) ‎NSUBSYS ‎[1,276 bytes]
473. (hist) ‎ML LMLFF ‎[1,270 bytes]
474. (hist) ‎ANDERSEN PROB ‎[1,261 bytes]
475. (hist) ‎Fcc Ni ‎[1,256 bytes]
476. (hist) ‎NOMEGA DUMP ‎[1,254 bytes]
477. (hist) ‎CMBJ ‎[1,251 bytes]
478. (hist) ‎STM of graphene ‎[1,250 bytes]
479. (hist) ‎ML OUTPUT MODE ‎[1,248 bytes]
480. (hist) ‎M CONSTR ‎[1,243 bytes]
481. (hist) ‎SPRING R0 ‎[1,241 bytes]
482. (hist) ‎NLSPLINE ‎[1,239 bytes]
483. (hist) ‎Spin-orbit coupling in a Fe monolayer ‎[1,239 bytes]
484. (hist) ‎SPRING K ‎[1,236 bytes]
485. (hist) ‎EDIFF ‎[1,234 bytes]
486. (hist) ‎LVTOT ‎[1,225 bytes]
487. (hist) ‎FERWE ‎[1,223 bytes]
488. (hist) ‎KPOINTS OPT ‎[1,222 bytes]
489. (hist) ‎FBIAS R0 ‎[1,202 bytes]
490. (hist) ‎ALDAX ‎[1,201 bytes]
491. (hist) ‎LMAXTAU ‎[1,201 bytes]
492. (hist) ‎LNMR SYM RED ‎[1,197 bytes]
493. (hist) ‎NBLK ‎[1,195 bytes]
494. (hist) ‎Makefile.include.linux gfortran ‎[1,195 bytes]
495. (hist) ‎ML RDES SPARSDES ‎[1,188 bytes]
496. (hist) ‎CUTOFF MU ‎[1,186 bytes]
497. (hist) ‎LSPECTRAL ‎[1,185 bytes]
498. (hist) ‎At and mol further ‎[1,183 bytes]
499. (hist) ‎LSCK ‎[1,175 bytes]
500. (hist) ‎LBONE ‎[1,173 bytes]