MD silulation with VASP

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whzhang · #1 Post by **whzhang** » Mon Dec 10, 2007 4:41 pm

I use the MD method implemented in VASP to simulate one system.

I got many warinings, but the output seems reasonable. Is this problem seriouly? How can resolve it? My Vasp version is 4.6.12.

thanks a lot.

WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 314
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 316
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 317
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 318
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 321
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 322
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 323
RMM: 5 -0.835600140708E+03 0.10770E-04 -0.14548E-04 1715 0.121E-02 0.130E-02
WARNING in EDDRMM: call to ZHEGV failed, returncode = 4 2 8
WARNING in EDDRMM: call to ZHEGV failed, returncode = 4 2 9
WARNING in EDDRMM: call to ZHEGV failed, returncode = 4 210
WARNING in EDDRMM: call to ZHEGV failed, returncode = 4 211
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 318
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 319
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 321
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 322
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 323
WARNING in EDDRMM: call to ZHEGV failed, returncode = 4 2 8
WARNING in EDDRMM: call to ZHEGV failed, returncode = 4 2 9
WARNING in EDDRMM: call to ZHEGV failed, returncode = 4 210
WARNING in EDDRMM: call to ZHEGV failed, returncode = 4 211
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 316
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 317
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 318
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 322

#2 Post by **admin** » Tue Dec 11, 2007 12:40 pm

please nevertheless check whether the steps in the MD run were reasonable.